| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 33.3 | Very low | 248 Ų | 248 | 156.2 Ų | 156.2 | 100% | 1.222 | 83% | 0.825 | S | S | * | * | 0 | 115.1 | 0 | -72.1 | 173 | 167.3 | 0 | 0 | 106.5 | |||||
| 2 | A | 34.3 | Very low | 32.9 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -84.3 | 135.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | D | 33.4 | Very low | 32.7 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -125.7 | 107.5 | 162.7 | -82.5 | -41.1 | 0 | 0 | 0 | 109.6 | ||||
| 4 | S | 36.9 | Very low | 32.5 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -67.6 | 128.1 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | K | 37.6 | Very low | 32.3 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -127.2 | 103.2 | 158.6 | -76.5 | -177.5 | -178.6 | 176.4 | 0 | 109.3 | ||||
| 6 | H | 32.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | -66 | 135.6 | 167.4 | -75.1 | -84.7 | 0 | 0 | 0 | 110.6 | ||||
| 7 | P | 35.5 | Very low | 32.7 | Very low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | trans | -81.5 | 122.3 | 160.7 | 29.3 | -28.6 | 0 | 0 | 0 | 110.3 | V9 | P7-V9 PolarHBondContact O-N 3.13Š| ||
| 8 | H | 32.9 | Very low | 32.6 | Very low | 186 Ų | 186 | 156.9 Ų | 156.9 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -64.3 | 114.6 | 167.9 | -83.7 | -88.9 | 0 | 0 | 0 | 110.2 | I10 | H8-I10 PolarHBondContact O-N 3.4Š| ||
| 9 | V | 30 | Very low | 32.3 | Very low | 109 Ų | 109 | 155.6 Ų | 155.6 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | trans | -76.5 | 109.8 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | P7 F11 | P7-V9 PolarHBondContact O-N 3.13Å; V9-F11 HydrophobicContact CB-CE2 4.38Å; V9-F11 HydrophobicContact CG1-CD2 3.69Å; V9-F11 HydrophobicContact CG1-CE2 3.57Å; V9-F11 HydrophobicContact CG1-CG 4.44Å; V9-F11 HydrophobicContact CG1-CZ 4.23Å | ||
| 10 | I | 32.5 | Very low | 32 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | trans | -86.8 | 106.3 | 164.2 | -61.4 | 179.8 | 0 | 0 | 0 | 107.2 | H8 C12 | H8-I10 PolarHBondContact O-N 3.4Å; I10-C12 PolarHBondContact O-N 3.27Å | ||
| 11 | F | 25.6 | Very low | 31.8 | Very low | 172 Ų | 172 | 154 Ų | 154 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -69.8 | 111.6 | 167.6 | -81.9 | -92.7 | 0 | 0 | 0 | 109.6 | V9 | V9-F11 HydrophobicContact CB-CE2 4.38Å; V9-F11 HydrophobicContact CG1-CD2 3.69Å; V9-F11 HydrophobicContact CG1-CE2 3.57Å; V9-F11 HydrophobicContact CG1-CG 4.44Å; V9-F11 HydrophobicContact CG1-CZ 4.23Å | ||
| 12 | C | 28.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 94.3 | 160.9 | -78.7 | 0 | 0 | 0 | 0 | 108.6 | I10 D14 | I10-C12 PolarHBondContact O-N 3.27Å; C12-D14 PolarHBondContact O-N 2.7Å | ||
| 13 | N | 30.6 | Very low | 31.3 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -74 | 102.3 | 160.4 | -104.7 | -17 | 0 | 0 | 0 | 108.4 | ||||
| 14 | D | 30.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | 171.9 | 90.5 | 135.2 | -96.7 | -36.8 | 0 | 0 | 0 | 108.6 | C12 | C12-D14 PolarHBondContact O-N 2.7Š| ||
| 15 | S | 28.6 | Very low | 30.9 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 129.5 | 162.1 | -74.3 | 0 | 0 | 0 | 0 | 108.3 | K17 | S15-K17 PolarHBondContact O-N 2.94Š| ||
| 16 | P | 35.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 120.3 | 154.4 | 29 | -27.6 | 0 | 0 | 0 | 108 | R18 | P16-R18 PolarHBondContact O-N 3.05Š| ||
| 17 | K | 36.6 | Very low | 30.5 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -45.6 | 124 | 179.4 | -60 | 171.1 | -179.1 | 177.8 | 0 | 111.9 | S15 | S15-K17 PolarHBondContact O-N 2.94Š| ||
| 18 | R | 30.3 | Very low | 30.3 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -136.2 | 117 | 151.5 | -92.4 | -170.5 | 171.5 | -176.6 | -3.7 | 108.9 | P16 L20 | P16-R18 PolarHBondContact O-N 3.05Å; R18-L20 PolarHBondContact O-N 2.78Å | ||
| 19 | V | 27.4 | Very low | 30.2 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -59.5 | 120.7 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | V21 | V19-V21 HydrophobicContact CG1-CG2 4.41Š| ||
| 20 | L | 25.8 | Very low | 30.2 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -81.2 | 116 | 160.1 | -101.7 | 119.8 | 0 | 0 | 0 | 107.2 | R18 S22 | R18-L20 PolarHBondContact O-N 2.78Å; L20-S22 PolarHBondContact O-N 2.87Å | ||
| 21 | V | 27.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -79 | 105.2 | 162.2 | 176.3 | 0 | 0 | 0 | 0 | 106.6 | V19 | V19-V21 HydrophobicContact CG1-CG2 4.41Š| ||
| 22 | S | 29.1 | Very low | 30.1 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 114 | 169.2 | -55.8 | 0 | 0 | 0 | 0 | 108.7 | L20 I24 | L20-S22 PolarHBondContact O-N 2.87Å; S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | V | 29.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -71.3 | 101.6 | 168.9 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 24 | I | 29.8 | Very low | 30 | Very low | 143 Ų | 143 | 158.6 Ų | 158.6 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | trans | -91.5 | 109.9 | 163.8 | -60.1 | 176.5 | 0 | 0 | 0 | 106.7 | S22 T26 | S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 VanDerWaalsContact O-N 3.15Å; I24-T26 PolarHBondContact O-N 3.09Å | ||
| 25 | K | 32.7 | Very low | 29.9 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -78.2 | 108.1 | 166.6 | -102.2 | 178.5 | 173.6 | 174.5 | 0 | 108.4 | ||||
| 26 | T | 29.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 159.8 Ų | 159.8 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | trans | -144.7 | 146.8 | 148.6 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | I24 | I24-T26 PolarHBondContact O-N 3.09Š| ||
| 27 | P | 31.5 | Very low | 29.6 | Very low | 129 Ų | 129 | 160 Ų | 160 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -90.1 | 131.9 | -162.1 | 34.4 | -30.9 | 0 | 0 | 0 | 111.6 | ||||
| 28 | I | 30.9 | Very low | 29.6 | Very low | 168 Ų | 168 | 155.8 Ų | 155.8 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | trans | -115 | 123.6 | 170.7 | -56.5 | 177.2 | 0 | 0 | 0 | 107.9 | ||||
| 29 | K | 30.9 | Very low | 29.4 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -62.6 | 150.1 | -179.9 | -72.5 | 175.3 | 177.9 | 176.9 | 0 | 111.8 | ||||
| 30 | P | 31.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -82.3 | 142.2 | -176.1 | 33.1 | -33.2 | 0 | 0 | 0 | 111.9 | ||||
| 31 | R | 26.8 | Very low | 30.3 | Very low | 247 Ų | 247 | 149 Ų | 149 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -134 | 116.2 | 164 | -148.9 | 178.9 | -173.8 | -156.8 | 0.7 | 110.6 | ||||
| 32 | K | 28.1 | Very low | 30.3 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | 16.7 | 122.1 | 164.8 | -80.4 | -179.3 | 172.2 | -176.8 | 0 | 121.3 | ||||
| 33 | L | 30.7 | Very low | 30.2 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -4.2 | 128 | 133.6 | -111.8 | 71.4 | 0 | 0 | 0 | 116.5 | ||||
| 34 | E | 27.8 | Very low | 30.1 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | -138 | 129.9 | 128.8 | -72.7 | -160.9 | 156.7 | 0 | 0 | 110.3 | |||||
| 35 | T | 27.8 | Very low | 30.1 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 68% | 0.681 | 81% | 0.811 | S | S | * | * | trans | -78.2 | 134.4 | 178.1 | 31 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | L | 27.8 | Very low | 29.9 | Very low | 178 Ų | 178 | 150 Ų | 150 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 132.4 | 145.7 | -72.8 | 179.4 | 0 | 0 | 0 | 110.1 | ||||
| 37 | T | 31 | Very low | 29.8 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -84.4 | 173.2 | -171.7 | 36.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 38 | P | 35.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -102.6 | 164 | -146.6 | 39.3 | -33.9 | 0 | 0 | 0 | 114.3 | ||||
| 39 | T | 26.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -135 | 115.9 | 155.4 | -3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | S | 30.8 | Very low | 29.6 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 158.4 | 166.1 | -160.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 41 | P | 40.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | cis | -138.9 | 174.8 | 40.1 | 32.1 | -7.7 | 0 | 0 | 0 | 113.4 | ||||
| 42 | G | 26.8 | Very low | 29.4 | Very low | 62 Ų | 62 | 151 Ų | 151 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | 179.2 | -163.5 | 7.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 43 | F | 27.5 | Very low | 29.3 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | trans | 89.5 | 84.1 | 174.6 | -79.5 | -91.4 | 0 | 0 | 0 | 119.5 | ||||
| 44 | S | 27.6 | Very low | 29.1 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | 29.5 | 117.1 | 125.7 | 61.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 45 | D | 29.6 | Very low | 29.1 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | 38.3 | 117.1 | 126 | -67.2 | -29.5 | 0 | 0 | 0 | 120.1 | |||||
| 46 | F | 27.5 | Very low | 29.2 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | -173.4 | 103.8 | 109.8 | -107.3 | -82.1 | 0 | 0 | 0 | 108.7 | V48 | F46-V48 PolarHBondContact O-N 2.68Å; F46-V48 VanDerWaalsContact O-N 3.09Å | |||
| 47 | M | 27.8 | Very low | 29.2 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -72.9 | 98.5 | 168.9 | -77.7 | -160.5 | -173.4 | 0 | 0 | 109.9 | Y49 | M47-Y49 HydrophobicContact SD-CE2 4.44Š| ||
| 48 | V | 30.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 117.9 | 157 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | F46 P50 | F46-V48 PolarHBondContact O-N 2.68Å; F46-V48 VanDerWaalsContact O-N 3.09Å; V48-P50 WeakPolarHBondContact O-CD 3.1Å | ||
| 49 | Y | 26.6 | Very low | 28.9 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | trans | -84.4 | 108.8 | 165.4 | -79.3 | -88 | 0 | 0 | 0 | 109.2 | M47 W51 | M47-Y49 HydrophobicContact SD-CE2 4.44Å; Y49-W51 PolarHBondContact O-N 3.13Å | ||
| 50 | P | 31.6 | Very low | 29 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 108.1 | 166.8 | 31.6 | -32.7 | 0 | 0 | 0 | 109.4 | V48 K52 | V48-P50 WeakPolarHBondContact O-CD 3.1Å; P50-K52 VanDerWaalsContact C-N 3.31Å; P50-K52 PolarHBondContact O-N 2.92Å | ||
| 51 | W | 27.7 | Very low | 28.7 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | -75.1 | 86.9 | 166.6 | -74.8 | 43.4 | 0 | 0 | 0 | 108.2 | Y49 | Y49-W51 PolarHBondContact O-N 3.13Š| ||
| 52 | K | 26 | Very low | 28.1 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -76.9 | 120.3 | 171.8 | -80.4 | -160.5 | 173.7 | -171.6 | 0 | 110.4 | P50 | P50-K52 VanDerWaalsContact C-N 3.31Å; P50-K52 PolarHBondContact O-N 2.92Å | ||
| 53 | W | 26 | Very low | 28 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -65.5 | 125.2 | 165.7 | -161.7 | -55.7 | 0 | 0 | 0 | 108.2 | E55 | W53-E55 PolarHBondContact O-N 3.35Š| ||
| 54 | G | 26.5 | Very low | 28.5 | Very low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -70 | 110.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 55 | E | 28.3 | Very low | 28.4 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -77.6 | 113.8 | 159.6 | -67.1 | 172.2 | 144.4 | 0 | 0 | 107.7 | W53 A57 | W53-E55 PolarHBondContact O-N 3.35Å; E55-A57 PolarHBondContact O-N 3.17Å | ||
| 56 | N | 29.1 | Very low | 28.3 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 89.9 | 165.7 | -77.2 | -11.2 | 0 | 0 | 0 | 107.9 | H58 | N56-H58 PolarHBondContact O-N 2.9Š| ||
| 57 | A | 28.2 | Very low | 28.3 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -65.3 | 119.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | E55 N59 | E55-A57 PolarHBondContact O-N 3.17Å; A57-N59 PolarHBondContact O-N 2.89Å; A57-N59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | H | 32.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -70.2 | 105.3 | 165.4 | -77.3 | -83.5 | 0 | 0 | 0 | 108.1 | N56 V60 | N56-H58 PolarHBondContact O-N 2.9Å; H58-V60 PolarHBondContact O-N 3.46Å | ||
| 59 | N | 28.7 | Very low | 28.2 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -69.3 | 106.1 | 163.4 | -178.7 | 6.8 | 0 | 0 | 0 | 108.2 | A57 T61 | A57-N59 PolarHBondContact O-N 2.89Å; A57-N59 VanDerWaalsContact O-N 3.14Å; N59-T61 PolarHBondContact O-N 3.35Å | ||
| 60 | V | 27.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 99.7 | 161.1 | 175 | 0 | 0 | 0 | 0 | 106.2 | H58 L62 | H58-V60 PolarHBondContact O-N 3.46Å; V60-L62 HydrophobicContact CG1-CG 4.46Å; V60-L62 PolarHBondContact O-N 3.21Å; V60-L62 VanDerWaalsContact O-N 3.15Å | ||
| 61 | T | 26.3 | Very low | 28 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -73.5 | 103.3 | 167.9 | -47 | 0 | 0 | 0 | 0 | 108.2 | N59 | N59-T61 PolarHBondContact O-N 3.35Š| ||
| 62 | L | 26.8 | Very low | 28 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -78 | 140.5 | 158.9 | -75.3 | 165 | 0 | 0 | 0 | 109.3 | V60 | V60-L62 HydrophobicContact CG1-CG 4.46Å; V60-L62 PolarHBondContact O-N 3.21Å; V60-L62 VanDerWaalsContact O-N 3.15Å | ||
| 63 | S | 26.1 | Very low | 29 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 156.5 | 164.6 | 133.6 | -71.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 64 | P | 36.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | -123.7 | 172.7 | -50.9 | 33.4 | -17 | 0 | 0 | 0 | 110.8 | |||||
| 65 | G | 26.1 | Very low | 29.3 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -77.1 | -179 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 66 | S | 27.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -140 | 115.3 | 158.5 | -46 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 67 | A | 28.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -87 | 147.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 68 | S | 28.3 | Very low | 29.7 | Very low | 131 Ų | 131 | 122 Ų | 122 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | 158.7 | 132.3 | 151.6 | -69.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 69 | G | 28 | Very low | 29.6 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -166 | 175.4 | 13.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 70 | A | 27.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -73 | 153.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 71 | A | 26.7 | Very low | 29.8 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | -173.4 | 131.1 | 128.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 72 | S | 27.9 | Very low | 30 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -89.9 | -163.9 | 171.8 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | P | 46.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | -125.5 | 155.8 | -96.3 | 37 | -18.8 | 0 | 0 | 0 | 113.9 | |||||
| 74 | T | 31.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | trans | -147 | 126.9 | 155.6 | 51 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 75 | G | 27.2 | Very low | 30.7 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | cis | 109.2 | 86.9 | 29.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 76 | S | 31.4 | Very low | 31 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | 178.1 | 106.8 | 148.7 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 77 | Q | 32.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -63.5 | 141.1 | 158.1 | -62.8 | 167.6 | -10.6 | 0 | 0 | 109.3 | ||||
| 78 | T | 30.6 | Very low | 32 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -141.4 | 142.8 | 135.2 | 48.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 79 | A | 29.5 | Very low | 32.6 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | -111.5 | 163.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | R | 31.3 | Very low | 33 | Very low | 237 Ų | 237 | 131.1 Ų | 131.1 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | 74.8 | 142.5 | 166.9 | -52.2 | 178.8 | 169.3 | 155.3 | -3.8 | 112.7 | ||||
| 81 | E | 29.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | cis | -156.4 | 160.4 | 42.2 | -71.9 | 173.6 | 127.6 | 0 | 0 | 113.5 | ||||
| 82 | A | 30.3 | Very low | 33.8 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | 74.2 | 105.6 | 139 | 0 | 0 | 0 | 0 | 0 | 120.4 | T84 | A82-T84 PolarHBondContact O-N 3.15Š| ||
| 83 | D | 34.7 | Very low | 34.2 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -36.3 | 122.9 | 144.4 | -59.4 | -71 | 0 | 0 | 0 | 113.2 | ||||
| 84 | T | 33.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -143.6 | 109.3 | 153.6 | -62.6 | 0 | 0 | 0 | 0 | 107.3 | A82 | A82-T84 PolarHBondContact O-N 3.15Š| ||
| 85 | A | 34.9 | Very low | 33.6 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S87 | A85-S87 PolarHBondContact O-N 3.02Š|
| 86 | P | 33.9 | Very low | 34.2 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.1 | 172.9 | 27.3 | -29.8 | 0 | 0 | 0 | 111 | ||
| 87 | S | 30.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144.4 | 172.6 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | A85 D89 | A85-S87 PolarHBondContact O-N 3.02Å; S87-D89 PolarHBondContact O-N 3.5Å |
| 88 | P | 45.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -86.9 | 76.3 | -170.2 | 35.9 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 89 | D | 41.5 | Very low | 35.1 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 73.9 | 169.5 | -97.7 | -35.2 | 0 | 0 | 0 | 111.3 | S87 | S87-D89 PolarHBondContact O-N 3.5Š| ||
| 90 | Q | 34.8 | Very low | 35.5 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -170.8 | 88.1 | 149.8 | -76.2 | -38.8 | -48.1 | 0 | 0 | 109.5 | ||||
| 91 | I | 33.7 | Very low | 35.7 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -124.6 | 83.4 | 157.1 | -53.5 | -178.9 | 0 | 0 | 0 | 107.5 | ||||
| 92 | K | 38 | Very low | 36.5 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -111.4 | 129.1 | 156.6 | -72 | -177.5 | -178.6 | 176.2 | 0 | 107.7 | ||||
| 93 | D | 35.6 | Very low | 36.9 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 75.6 | 108.5 | 158.5 | -52.6 | -40.9 | 0 | 0 | 0 | 118.6 | ||
| 94 | G | 32.4 | Very low | 37.1 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 149.9 | 50.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117 | R96 | G94-R96 PolarHBondContact O-N 3.13Š| ||
| 95 | I | 34.2 | Very low | 37.6 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 82.1 | 163.5 | -56.2 | 177.7 | 0 | 0 | 0 | 108.2 | R97 | I95-R97 HydrophobicContact CG2-CG 4.26Å; I95-R97 PolarHBondContact O-N 3Å | ||
| 96 | R | 38.2 | Very low | 38.3 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 103.1 | 159.6 | -84 | -173.2 | -91.1 | -142.5 | -3.8 | 106.3 | G94 G98 | G94-R96 PolarHBondContact O-N 3.13Å; R96-G98 PolarHBondContact O-N 2.8Å | ||
| 97 | R | 42.8 | Very low | 38.8 | Very low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -65.8 | 71.5 | 167.3 | -75.1 | -170.5 | -97.7 | -159.5 | -9.8 | 109.5 | I95 R99 | I95-R97 HydrophobicContact CG2-CG 4.26Å; I95-R97 PolarHBondContact O-N 3Å; R97-R99 PolarHBondContact O-N 3.29Å | ||
| 98 | G | 36 | Very low | 39.3 | Very low | 63 Ų | 63 | 156 Ų | 156 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 116.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | R96 P100 | R96-G98 PolarHBondContact O-N 2.8Å; G98-P100 WeakPolarHBondContact O-CD 3.46Å |
| 99 | R | 34.8 | Very low | 39.4 | Very low | 240 Ų | 240 | 158.3 Ų | 158.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.3 | 167.7 | -179.4 | -172.4 | -87.6 | -128.1 | 0.7 | 106.6 | R97 | R97-R99 PolarHBondContact O-N 3.29Š|
| 100 | P | 38.7 | Very low | 39.4 | Very low | 103 Ų | 103 | 156.6 Ų | 156.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.2 | 178.6 | 22.2 | -29.3 | 0 | 0 | 0 | 110.1 | G98 | G98-P100 WeakPolarHBondContact O-CD 3.46Š|
| 101 | R | 35.9 | Very low | 40 | Very low | 208 Ų | 208 | 158 Ų | 158 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.6 | 174.5 | -142.7 | 167.6 | 169.5 | 165.7 | -3.8 | 107.8 | D103 T104 | R101-D103 PolarHBondContact O-N 2.94Å; R101-T104 PolarHBondContact O-N 3.24Å; R101-T104 PolarHBondContact O-OG1 3.02Å; R101-T104 VanDerWaalsContact O-OG1 3.07Å |
| 102 | A | 46 | Very low | 40.6 | Very low | 86 Ų | 86 | 153 Ų | 153 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -62.4 | -7.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 103 | D | 39 | Very low | 41.1 | Very low | 137 Ų | 137 | 154 Ų | 154 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -92.8 | -10.2 | -170 | -46.3 | -43.4 | 0 | 0 | 0 | 113.2 | R101 | R101-D103 PolarHBondContact O-N 2.94Š|
| 104 | T | 39.2 | Very low | 41.4 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -91.8 | 10.3 | -179.6 | 11.2 | 0 | 0 | 0 | 0 | 115 | R101 R106 | R101-T104 PolarHBondContact O-N 3.24Å; R101-T104 PolarHBondContact O-OG1 3.02Å; R101-T104 VanDerWaalsContact O-OG1 3.07Å; T104-R106 PolarHBondContact O-N 3.07Å |
| 105 | V | 44.3 | Very low | 42.4 | Very low | 130 Ų | 130 | 155 Ų | 155 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 45.1 | -177.2 | -164.2 | 0 | 0 | 0 | 0 | 112 | ||
| 106 | R | 49.3 | Very low | 43.6 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -3.1 | 177.4 | -130.1 | -177.8 | -168.3 | 134.5 | 0.1 | 117.8 | T104 | T104-R106 PolarHBondContact O-N 3.07Š|
| 107 | E | 43.6 | Very low | 45 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.2 | 155.3 | 168.6 | -94.3 | 171 | 141 | 0 | 0 | 109.3 | ||
| 108 | L | 41.3 | Very low | 46.6 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | 90 | 60.6 | -165.5 | -44.8 | 179.8 | 0 | 0 | 0 | 114 | ||||
| 109 | I | 48.3 | Very low | 48.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -107.3 | 88 | 143.6 | -57.1 | 176.8 | 0 | 0 | 0 | 106.4 | ||||
| 110 | S | 41.8 | Very low | 51.2 | Low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -143.6 | 111.7 | 163 | -53 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 111 | E | 47.2 | Very low | 53.5 | Low | 199 Ų | 199 | 133.2 Ų | 133.2 | 93% | 0.93 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 69.3 | 126.6 | 149 | -57.8 | 172 | -165.9 | 0 | 0 | 119.1 | ||
| 112 | G | 45.3 | Very low | 55.7 | Low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | trans | 113.8 | 75.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T114 | G112-T114 PolarHBondContact O-N 2.79Š| ||
| 113 | E | 49.8 | Very low | 57.5 | Low | 190 Ų | 190 | 130 Ų | 130 | 89% | 0.888 | 69% | 0.688 | S | S | * | * | trans | 20 | 98.8 | 142.4 | -57.7 | 179.4 | 148.9 | 0 | 0 | 118.1 | ||||
| 114 | T | 42.3 | Very low | 59.7 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | -143.2 | 128.1 | 112.9 | 46.1 | 0 | 0 | 0 | 0 | 107.3 | G112 S116 | G112-T114 PolarHBondContact O-N 2.79Å; T114-S116 PolarHBondContact O-N 2.84Å | |||
| 115 | S | 53.4 | Low | 61.8 | Low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | trans | -67 | 49.7 | 173.1 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | S117 | S115-S117 PolarHBondContact O-N 3.44Š| ||
| 116 | S | 57.8 | Low | 63.5 | Low | 68 Ų | 68 | 126.9 Ų | 126.9 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | trans | -75.6 | 84.4 | 161.4 | -169.8 | 0 | 0 | 0 | 0 | 106.8 | T114 R118 | T114-S116 PolarHBondContact O-N 2.84Å; S116-R118 PolarHBondContact O-N 2.78Å | ||
| 117 | S | 67.4 | Low | 65.2 | Low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 63% | 0.633 | S | S | * | * | trans | -47.4 | 101.7 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | S115 I119 | S115-S117 PolarHBondContact O-N 3.44Å; S117-I119 WeakPolarHBondContact O-CG1 3.49Å; S117-I119 PolarHBondContact O-N 2.9Å | ||
| 118 | R | 76.7 | Confident | 67.2 | Low | 201 Ų | 201 | 112.3 Ų | 112.3 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | trans | -72.8 | 113.1 | 174.2 | -76 | -176 | -168 | 138.6 | 1.4 | 106.7 | S116 V127 | S116-R118 PolarHBondContact O-N 2.78Å; R118-V127 HydrophobicContact CB-CG1 3.6Å; R118-V127 HydrophobicContact CG-CG1 4.18Å | ||
| 119 | I | 81.9 | Confident | 69.1 | Low | 50 Ų | 50 | 107.8 Ų | 107.8 | 26% | 0.256 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.8 | -172.1 | -37.2 | -174.9 | 0 | 0 | 0 | 109.1 | S117 F128 E131 L134 | S117-I119 WeakPolarHBondContact O-CG1 3.49Å; S117-I119 PolarHBondContact O-N 2.9Å; I119-F128 PolarHBondContact N-O 3.01Å; I119-F128 PolarHBondContact O-N 2.84Å; I119-E131 HydrophobicContact CD1-CB 3.72Å; I119-E131 WeakPolarHBondContact CD1-OE2 3.39Å; I119-L134 HydrophobicContact CB-CD2 4Å; I119-L134 HydrophobicContact CG2-CD2 3.35Å |
| 120 | R | 87 | Confident | 70.8 | Confident | 163 Ų | 163 | 108 Ų | 108 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 142.7 | -175.5 | -173.9 | -177.7 | -70.4 | 171.1 | 0.6 | 111.5 | N125 R126 V127 | R120-N125 WeakPolarHBondContact CD-OD1 3.33Å; R120-N125 HydrophobicContact CG-CB 4.46Å; R120-R126 CarbonylContact C-O 3.59Å; R120-R126 WeakPolarHBondContact CA-O 3.33Å; R120-V127 HydrophobicContact CG-CG2 4.43Å |
| 121 | C | 86.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 106.9 Ų | 106.9 | 0% | 0 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -75.7 | 126.8 | 167.1 | -177.3 | 0 | 0 | 0 | 0 | 111 | I123 N125 R126 F128 L134 | C121-I123 PolarHBondContact O-N 3.06Å; C121-I123 PolarHBondContact SG-N 2.75Å; C121-N125 WeakPolarHBondContact O-CA 3.13Å; C121-N125 PolarHBondContact O-N 2.96Å; C121-R126 PolarHBondContact N-O 2.74Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; C121-L134 HydrophobicContact CB-CD1 3.63Å |
| 122 | N | 81.6 | Confident | 74.3 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 67% | 0.668 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.2 | 177.7 | 60.6 | -26 | 0 | 0 | 0 | 114.5 | ||
| 123 | I | 83.8 | Confident | 76.1 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -44.4 | -178.1 | -60.2 | 169.6 | 0 | 0 | 0 | 111.5 | C121 H141 | C121-I123 PolarHBondContact O-N 3.06Å; C121-I123 PolarHBondContact SG-N 2.75Å; I123-H141 HydrophobicContact CD1-CB 3.56Å |
| 124 | C | 85.8 | Confident | 77.6 | Confident | 49 Ų | 49 | 95.7 Ų | 95.7 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 10.1 | -174.3 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | R126 H137 | C124-R126 PolarHBondContact O-N 3.24Å; C124-H137 VanDerWaalsContact SG-CE1 3.6Å; C124-H137 PolarHBondContact SG-NE2 3.46Å |
| 125 | N | 81.9 | Confident | 79.5 | Confident | 103 Ų | 103 | 93.4 Ų | 93.4 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | trans | 56 | 12.1 | 177 | -66.9 | -45.2 | 0 | 0 | 0 | 116.3 | R120 C121 | R120-N125 WeakPolarHBondContact CD-OD1 3.33Å; R120-N125 HydrophobicContact CG-CB 4.46Å; C121-N125 WeakPolarHBondContact O-CA 3.13Å; C121-N125 PolarHBondContact O-N 2.96Å | ||
| 126 | R | 81.3 | Confident | 80.8 | Confident | 151 Ų | 151 | 88.1 Ų | 88.1 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -65.6 | 136.4 | 172.6 | -74.7 | -172.7 | 179.5 | -143.7 | 0.1 | 110.8 | R120 C121 C124 F128 | R120-R126 CarbonylContact C-O 3.59Å; R120-R126 WeakPolarHBondContact CA-O 3.33Å; C121-R126 PolarHBondContact N-O 2.74Å; C124-R126 PolarHBondContact O-N 3.24Å; R126-F128 HydrophobicContact CB-CE2 3.59Å; R126-F128 HydrophobicContact CB-CZ 3.84Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.38Å | ||
| 127 | V | 84.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 86.1 Ų | 86.1 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.8 | -178.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | R118 R120 | R118-V127 HydrophobicContact CB-CG1 3.6Å; R118-V127 HydrophobicContact CG-CG1 4.18Å; R120-V127 HydrophobicContact CG-CG2 4.43Å |
| 128 | F | 85.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 17% | 0.167 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.4 | -179.1 | -63.3 | -87.5 | 0 | 0 | 0 | 110.3 | I119 C121 R126 R130 L134 H137 | I119-F128 PolarHBondContact N-O 3.01Å; I119-F128 PolarHBondContact O-N 2.84Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; R126-F128 HydrophobicContact CB-CE2 3.59Å; R126-F128 HydrophobicContact CB-CZ 3.84Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.38Å; F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.17Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 4.18Å; F128-L134 HydrophobicContact CD2-CD1 3.64Å; F128-L134 HydrophobicContact CE2-CD1 3.95Å; F128-L134 HydrophobicContact CG-CB 4.32Å; F128-H137 HydrophobicContact CE1-CB 3.87Å; F128-H137 HydrophobicContact CE2-CB 3.94Å; F128-H137 AromaticContact CE2-CD2 3.37Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.16Å; F128-H137 AromaticContact CE2-CG 3.62Å; F128-H137 HydrophobicContact CZ-CB 3.46Å; F128-H137 VanDerWaalsContact CZ-CB 3.46Å; F128-H137 AromaticContact CZ-CD2 3.44Å; F128-H137 VanDerWaalsContact CZ-CD2 3.44Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.46Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.73Å |
| 129 | P | 82.2 | Confident | 82.7 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -77.5 | -10.4 | 179.2 | 30.8 | -35.6 | 0 | 0 | 0 | 113.4 | ||
| 130 | R | 83.9 | Confident | 82.5 | Confident | 171 Ų | 171 | 80.2 Ų | 80.2 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -146.3 | 144.9 | -175 | -58.9 | -174.9 | -168.6 | 109.6 | -0.1 | 111.5 | F128 K132 S133 L134 | F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.17Å; R130-K132 PolarHBondContact O-N 2.73Å; R130-S133 WeakPolarHBondContact O-CB 3.19Å; R130-S133 PolarHBondContact O-N 3.15Å; R130-S133 VanDerWaalsContact O-N 3.12Å; R130-L134 PolarHBondContact O-N 3.43Å; R130-L134 VanDerWaalsContact O-N 3.12Å |
| 131 | E | 81.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 75.9 Ų | 75.9 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 177.4 | -175.3 | 56.4 | -151.2 | 0 | 0 | 112.3 | I119 S133 L134 Q135 | I119-E131 HydrophobicContact CD1-CB 3.72Å; I119-E131 WeakPolarHBondContact CD1-OE2 3.39Å; E131-S133 PolarHBondContact O-N 3.2Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 PolarHBondContact O-N 3.09Å; E131-Q135 HydrophobicContact CG-CG 4.2Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å |
| 132 | K | 80.2 | Confident | 81.3 | Confident | 185 Ų | 185 | 80.1 Ų | 80.1 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.2 | -36 | 176.5 | -67.8 | -176 | 179.7 | 178.6 | 0 | 112.5 | R130 A136 | R130-K132 PolarHBondContact O-N 2.73Å; K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 3.3Å |
| 133 | S | 82.4 | Confident | 80.9 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | R130 E131 H137 | R130-S133 WeakPolarHBondContact O-CB 3.19Å; R130-S133 PolarHBondContact O-N 3.15Å; R130-S133 VanDerWaalsContact O-N 3.12Å; E131-S133 PolarHBondContact O-N 3.2Å; S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.38Å; S133-H137 PolarHBondContact O-N 3.45Å |
| 134 | L | 82.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 173.7 | 177.3 | 63.5 | 0 | 0 | 0 | 111.8 | I119 C121 F128 R130 E131 H137 K138 | I119-L134 HydrophobicContact CB-CD2 4Å; I119-L134 HydrophobicContact CG2-CD2 3.35Å; C121-L134 HydrophobicContact CB-CD1 3.63Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 4.18Å; F128-L134 HydrophobicContact CD2-CD1 3.64Å; F128-L134 HydrophobicContact CE2-CD1 3.95Å; F128-L134 HydrophobicContact CG-CB 4.32Å; R130-L134 PolarHBondContact O-N 3.43Å; R130-L134 VanDerWaalsContact O-N 3.12Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 PolarHBondContact O-N 3.09Å; L134-H137 CarbonylContact O-C 3.08Å; L134-H137 WeakPolarHBondContact O-CA 3.43Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 3.19Å; L134-H137 VanDerWaalsContact O-N 3.1Å; L134-K138 HydrophobicContact CD1-CG 4.37Å; L134-K138 HydrophobicContact CG-CD 4.37Å; L134-K138 HydrophobicContact CG-CG 4.45Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.74Å |
| 135 | Q | 80.8 | Confident | 79.9 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.1 | -72.4 | -67.2 | -25.6 | 0 | 0 | 111.9 | E131 H137 K138 R139 | E131-Q135 HydrophobicContact CG-CG 4.2Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å; Q135-H137 PolarHBondContact O-N 3.23Å; Q135-K138 PolarHBondContact O-N 2.96Å; Q135-R139 PolarHBondContact O-N 3.42Å |
| 136 | A | 80.7 | Confident | 79.7 | Confident | 8 Ų | 8 | 76 Ų | 76 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K132 R139 V159 Q160 | K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 3.3Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-V159 HydrophobicContact CB-CG1 4.42Å; A136-V159 WeakPolarHBondContact O-CG1 3.44Å; A136-Q160 HydrophobicContact CB-CG 3.98Å |
| 137 | H | 81.6 | Confident | 79.6 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71 | -39.8 | 174.2 | 172.5 | 63.8 | 0 | 0 | 0 | 112.6 | C124 F128 S133 L134 Q135 R139 T140 H141 | C124-H137 VanDerWaalsContact SG-CE1 3.6Å; C124-H137 PolarHBondContact SG-NE2 3.46Å; F128-H137 HydrophobicContact CE1-CB 3.87Å; F128-H137 HydrophobicContact CE2-CB 3.94Å; F128-H137 AromaticContact CE2-CD2 3.37Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.16Å; F128-H137 AromaticContact CE2-CG 3.62Å; F128-H137 HydrophobicContact CZ-CB 3.46Å; F128-H137 VanDerWaalsContact CZ-CB 3.46Å; F128-H137 AromaticContact CZ-CD2 3.44Å; F128-H137 VanDerWaalsContact CZ-CD2 3.44Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.46Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.73Å; S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.38Å; S133-H137 PolarHBondContact O-N 3.45Å; L134-H137 CarbonylContact O-C 3.08Å; L134-H137 WeakPolarHBondContact O-CA 3.43Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 3.19Å; L134-H137 VanDerWaalsContact O-N 3.1Å; Q135-H137 PolarHBondContact O-N 3.23Å; H137-R139 PolarHBondContact O-N 3.4Å; H137-T140 WeakPolarHBondContact O-CB 3.45Å; H137-T140 PolarHBondContact O-N 3.14Å; H137-T140 PolarHBondContact O-OG1 3.44Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.51Å; H137-H141 AromaticContact NE2-CD2 3.84Å; H137-H141 AromaticContact NE2-NE2 3.06Å; H137-H141 PolarHBondContact NE2-NE2 2.79Å |
| 138 | K | 79.8 | Confident | 79.4 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 27% | 0.274 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.2 | -33.8 | 176.3 | -76.8 | 176.3 | 175.2 | 176.8 | 0 | 111.9 | L134 Q135 T140 H141 T142 | L134-K138 HydrophobicContact CD1-CG 4.37Å; L134-K138 HydrophobicContact CG-CD 4.37Å; L134-K138 HydrophobicContact CG-CG 4.45Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.74Å; Q135-K138 PolarHBondContact O-N 2.96Å; K138-T140 PolarHBondContact O-N 2.98Å; K138-H141 WeakPolarHBondContact O-CB 3.44Å; K138-H141 PolarHBondContact O-N 3.34Å; K138-T142 PolarHBondContact O-N 3.48Å; K138-T142 VanDerWaalsContact O-N 3.15Å |
| 139 | R | 80.6 | Confident | 79.3 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -20.2 | 172.5 | -69.3 | -179.3 | -173.4 | 134.8 | 5.5 | 114.7 | Q135 A136 H137 H141 T142 G143 E144 V159 | Q135-R139 PolarHBondContact O-N 3.42Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; H137-R139 PolarHBondContact O-N 3.4Å; R139-H141 VanDerWaalsContact C-N 3.31Å; R139-T142 WeakPolarHBondContact CA-OG1 3.35Å; R139-G143 CarbonylContact O-C 3.58Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.46Å; R139-E144 HydrophobicContact CB-CB 4.39Å; R139-E144 WeakPolarHBondContact CB-O 3.42Å; R139-E144 HydrophobicContact CG-CB 4.19Å; R139-E144 PolarHBondContact O-N 3.43Å; R139-V159 HydrophobicContact CB-CG1 3.52Å; R139-V159 HydrophobicContact CG-CG1 4.37Å |
| 140 | T | 77.3 | Confident | 79 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.6 | -25 | 172.2 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | H137 K138 | H137-T140 WeakPolarHBondContact O-CB 3.45Å; H137-T140 PolarHBondContact O-N 3.14Å; H137-T140 PolarHBondContact O-OG1 3.44Å; K138-T140 PolarHBondContact O-N 2.98Å |
| 141 | H | 75.5 | Confident | 78.6 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -83.1 | -38 | 174.5 | -61.4 | -61.2 | 0 | 0 | 0 | 111.6 | I123 H137 K138 R139 G143 | I123-H141 HydrophobicContact CD1-CB 3.56Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.51Å; H137-H141 AromaticContact NE2-CD2 3.84Å; H137-H141 AromaticContact NE2-NE2 3.06Å; H137-H141 PolarHBondContact NE2-NE2 2.79Å; K138-H141 WeakPolarHBondContact O-CB 3.44Å; K138-H141 PolarHBondContact O-N 3.34Å; R139-H141 VanDerWaalsContact C-N 3.31Å; H141-G143 VanDerWaalsContact C-N 3.34Å |
| 142 | T | 73.6 | Confident | 77.7 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -83.6 | -10.5 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | K138 R139 E144 | K138-T142 PolarHBondContact O-N 3.48Å; K138-T142 VanDerWaalsContact O-N 3.15Å; R139-T142 WeakPolarHBondContact CA-OG1 3.35Å; T142-E144 PolarHBondContact O-N 2.98Å; T142-E144 WeakPolarHBondContact OG1-CG 3.47Å |
| 143 | G | 72.9 | Confident | 77.3 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | trans | 71.5 | 6.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R139 H141 R145 | R139-G143 CarbonylContact O-C 3.58Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.46Å; H141-G143 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.4Å | ||
| 144 | E | 72.5 | Confident | 77.2 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | trans | -71.6 | 122.7 | -177.9 | -68.7 | -169.6 | 131.8 | 0 | 0 | 112.2 | R139 T142 P146 R234 | R139-E144 HydrophobicContact CB-CB 4.39Å; R139-E144 WeakPolarHBondContact CB-O 3.42Å; R139-E144 HydrophobicContact CG-CB 4.19Å; R139-E144 PolarHBondContact O-N 3.43Å; T142-E144 PolarHBondContact O-N 2.98Å; T142-E144 WeakPolarHBondContact OG1-CG 3.47Å; E144-P146 WeakPolarHBondContact O-CD 3.36Å; E144-R234 IonicContact OE1-CZ 3.68Å; E144-R234 IonicContact OE1-NH1 3.99Å; E144-R234 IonicContact OE1-NH2 2.73Å; E144-R234 PolarHBondContact OE1-NH2 3.04Å | ||
| 145 | R | 77.4 | Confident | 76.7 | Confident | 119 Ų | 119 | 66.8 Ų | 66.8 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | trans | -124.4 | 80 | 179.6 | -63.8 | 172.4 | 82 | 158.8 | 5.2 | 109.8 | G143 Y147 A157 F158 V159 | G143-R145 PolarHBondContact O-N 3.4Å; R145-Y147 PolarHBondContact O-N 2.95Å; R145-A157 HydrophobicContact CB-CB 3.35Å; R145-A157 HydrophobicContact CG-CB 4.29Å; R145-A157 PolarHBondContact NE-O 3.19Å; R145-A157 PolarHBondContact NH2-O 3.12Å; R145-F158 CarbonylContact C-O 3.49Å; R145-F158 VanDerWaalsContact C-O 3.26Å; R145-F158 WeakPolarHBondContact CA-O 3.45Å; R145-V159 HydrophobicContact CG-CG2 3.92Å | ||
| 146 | P | 76.4 | Confident | 76.4 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | trans | -70.8 | -12.4 | -172.1 | 26.7 | -33.6 | 0 | 0 | 0 | 114.3 | E144 | E144-P146 WeakPolarHBondContact O-CD 3.36Š| ||
| 147 | Y | 80.2 | Confident | 76.4 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 98.3 | -176.4 | -58.2 | -76.2 | 0 | 0 | 0 | 110.7 | R145 A157 F158 V159 | R145-Y147 PolarHBondContact O-N 2.95Å; Y147-A157 CarbonylContact O-C 3.36Å; Y147-A157 WeakPolarHBondContact O-CA 3.32Å; Y147-F158 WeakPolarHBondContact CB-O 3.06Å; Y147-F158 WeakPolarHBondContact CD2-O 3.48Å; Y147-F158 PolarHBondContact N-O 2.9Å; Y147-F158 PolarHBondContact O-N 3.1Å; Y147-V159 VanDerWaalsContact CD2-C 3.43Å; Y147-V159 WeakPolarHBondContact CD2-O 3.4Å; Y147-V159 WeakPolarHBondContact CE2-O 3.41Å |
| 148 | L | 79.4 | Confident | 76.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 147.4 | -175.8 | -61.5 | 154 | 0 | 0 | 0 | 110.5 | A157 L164 W226 L227 Y230 | L148-A157 HydrophobicContact CD2-CB 3.39Å; L148-A157 HydrophobicContact CG-CB 4.47Å; L148-L164 VanDerWaalsContact O-CD1 3.27Å; L148-L164 WeakPolarHBondContact O-CD1 3.49Å; L148-L164 VanDerWaalsContact O-CD2 3.31Å; L148-L164 WeakPolarHBondContact O-CD2 3.5Å; L148-W226 HydrophobicContact CB-CH2 3.97Å; L148-W226 HydrophobicContact CB-CZ3 3.94Å; L148-W226 HydrophobicContact CD1-CH2 3.65Å; L148-W226 HydrophobicContact CD1-CZ3 3.6Å; L148-W226 HydrophobicContact CD2-CH2 3.97Å; L148-W226 HydrophobicContact CG-CH2 4.03Å; L148-W226 HydrophobicContact CG-CZ3 4.22Å; L148-L227 HydrophobicContact CD1-CD2 4.03Å; L148-Y230 HydrophobicContact CD1-CD1 3.71Å; L148-Y230 HydrophobicContact CD1-CD2 4.33Å; L148-Y230 HydrophobicContact CD1-CE1 3.56Å; L148-Y230 HydrophobicContact CD1-CE2 4.19Å; L148-Y230 HydrophobicContact CD1-CG 4.1Å; L148-Y230 HydrophobicContact CD2-CE2 4.27Å |
| 149 | C | 83.4 | Confident | 76.1 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | trans | -80.9 | 119.7 | 173.3 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | Y151 C154 K156 L164 H167 H171 | C149-Y151 PolarHBondContact O-N 3.41Å; C149-C154 HydrophobicContact CB-CB 4.26Å; C149-K156 HydrophobicContact CB-CB 4.41Å; C149-K156 WeakPolarHBondContact CB-O 3.39Å; C149-K156 PolarHBondContact N-O 3.11Å; C149-L164 HydrophobicContact CB-CD1 4.09Å; C149-H167 VanDerWaalsContact SG-CD2 3.54Å; C149-H167 PolarHBondContact SG-NE2 3.06Å; C149-H167 VanDerWaalsContact SG-NE2 3.38Å; C149-H171 VanDerWaalsContact SG-CD2 3.6Å; C149-H171 PolarHBondContact SG-NE2 3.39Å | ||
| 150 | D | 76.2 | Confident | 76 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | trans | -74 | -2.6 | -179.1 | -46.6 | -50.3 | 0 | 0 | 0 | 113.6 | Q168 V223 | D150-Q168 PolarHBondContact OD2-NE2 3.49Å; D150-V223 HydrophobicContact CB-CG1 4.43Å | ||
| 151 | Y | 75.9 | Confident | 76.1 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -75.6 | 125 | -179.4 | -161.8 | -92.2 | 0 | 0 | 0 | 110.6 | C149 N153 C154 H171 | C149-Y151 PolarHBondContact O-N 3.41Å; Y151-N153 PolarHBondContact O-N 3.07Å; Y151-C154 WeakPolarHBondContact O-CB 3.41Å; Y151-C154 PolarHBondContact O-N 2.8Å; Y151-H171 AromaticContact CD1-CE1 3.81Å; Y151-H171 AromaticContact CD1-ND1 3.71Å; Y151-H171 HydrophobicContact CD2-CB 3.68Å; Y151-H171 AromaticContact CD2-CG 3.76Å; Y151-H171 HydrophobicContact CE2-CB 3.93Å; Y151-H171 HydrophobicContact CG-CB 4.11Å; Y151-H171 AromaticContact CG-CD2 3.82Å; Y151-H171 AromaticContact CG-CE1 3.9Å; Y151-H171 AromaticContact CG-CG 3.64Å; Y151-H171 AromaticContact CG-ND1 3.75Å; Y151-H171 AromaticContact CG-NE2 3.98Å |
| 152 | P | 63.2 | Low | 76.3 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 47% | 0.468 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.1 | -179.2 | 23.4 | -31.4 | 0 | 0 | 0 | 109.6 | ||
| 153 | N | 70.3 | Confident | 76.6 | Confident | 175 Ų | 175 | 64.3 Ų | 64.3 | 94% | 0.936 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 2.4 | -174.7 | -46.6 | -28.5 | 0 | 0 | 0 | 116.7 | Y151 | Y151-N153 PolarHBondContact O-N 3.07Š|
| 154 | C | 79.9 | Confident | 77.1 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -49.5 | 176.1 | -165.3 | 0 | 0 | 0 | 0 | 113 | C149 Y151 K156 H167 H171 | C149-C154 HydrophobicContact CB-CB 4.26Å; Y151-C154 WeakPolarHBondContact O-CB 3.41Å; Y151-C154 PolarHBondContact O-N 2.8Å; C154-K156 PolarHBondContact O-N 3.41Å; C154-H167 PolarHBondContact SG-NE2 3.06Å; C154-H171 VanDerWaalsContact SG-CE1 3.58Å; C154-H171 PolarHBondContact SG-NE2 3.12Å; C154-H171 VanDerWaalsContact SG-NE2 3.36Å |
| 155 | G | 73.2 | Confident | 77.5 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | trans | 58.9 | 10.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 156 | K | 75.6 | Confident | 77.8 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | trans | -80.4 | 127.9 | -176.6 | -72.6 | 179.4 | -174.3 | 177.1 | 0 | 110.6 | C149 C154 F158 | C149-K156 HydrophobicContact CB-CB 4.41Å; C149-K156 WeakPolarHBondContact CB-O 3.39Å; C149-K156 PolarHBondContact N-O 3.11Å; C154-K156 PolarHBondContact O-N 3.41Å; K156-F158 HydrophobicContact CB-CE2 3.86Å; K156-F158 HydrophobicContact CB-CZ 4.05Å | ||
| 157 | A | 79 | Confident | 78 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 154.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R145 Y147 L148 | R145-A157 HydrophobicContact CB-CB 3.35Å; R145-A157 HydrophobicContact CG-CB 4.29Å; R145-A157 PolarHBondContact NE-O 3.19Å; R145-A157 PolarHBondContact NH2-O 3.12Å; Y147-A157 CarbonylContact O-C 3.36Å; Y147-A157 WeakPolarHBondContact O-CA 3.32Å; L148-A157 HydrophobicContact CD2-CB 3.39Å; L148-A157 HydrophobicContact CG-CB 4.47Å |
| 158 | F | 79.1 | Confident | 78 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.9 | 179.3 | -61.8 | -86.8 | 0 | 0 | 0 | 110.7 | R145 Y147 K156 Q163 L164 H167 | R145-F158 CarbonylContact C-O 3.49Å; R145-F158 VanDerWaalsContact C-O 3.26Å; R145-F158 WeakPolarHBondContact CA-O 3.45Å; Y147-F158 WeakPolarHBondContact CB-O 3.06Å; Y147-F158 WeakPolarHBondContact CD2-O 3.48Å; Y147-F158 PolarHBondContact N-O 2.9Å; Y147-F158 PolarHBondContact O-N 3.1Å; K156-F158 HydrophobicContact CB-CE2 3.86Å; K156-F158 HydrophobicContact CB-CZ 4.05Å; F158-Q163 HydrophobicContact CB-CB 4.05Å; F158-Q163 HydrophobicContact CD1-CB 3.73Å; F158-Q163 HydrophobicContact CG-CB 4.08Å; F158-L164 HydrophobicContact CB-CB 4.49Å; F158-L164 HydrophobicContact CD2-CB 4.12Å; F158-L164 HydrophobicContact CD2-CD1 4.04Å; F158-L164 HydrophobicContact CE2-CD1 4.32Å; F158-H167 HydrophobicContact CE1-CB 4.17Å; F158-H167 HydrophobicContact CE2-CB 3.69Å; F158-H167 AromaticContact CE2-CD2 3.38Å; F158-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F158-H167 AromaticContact CE2-CG 3.46Å; F158-H167 VanDerWaalsContact CE2-CG 3.46Å; F158-H167 HydrophobicContact CZ-CB 3.45Å; F158-H167 VanDerWaalsContact CZ-CB 3.45Å; F158-H167 AromaticContact CZ-CD2 3.65Å; F158-H167 AromaticContact CZ-CG 3.26Å; F158-H167 AromaticContact CZ-ND1 3.74Å |
| 159 | V | 76.8 | Confident | 78.2 | Confident | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -86.8 | -22 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | A136 R139 R145 Y147 | A136-V159 HydrophobicContact CB-CG1 4.42Å; A136-V159 WeakPolarHBondContact O-CG1 3.44Å; R139-V159 HydrophobicContact CB-CG1 3.52Å; R139-V159 HydrophobicContact CG-CG1 4.37Å; R145-V159 HydrophobicContact CG-CG2 3.92Å; Y147-V159 VanDerWaalsContact CD2-C 3.43Å; Y147-V159 WeakPolarHBondContact CD2-O 3.4Å; Y147-V159 WeakPolarHBondContact CE2-O 3.41Å |
| 160 | Q | 79.2 | Confident | 78 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -130.5 | 142.8 | -179 | -62.5 | -178.9 | 2.4 | 0 | 0 | 111.5 | A136 G162 Q163 L164 | A136-Q160 HydrophobicContact CB-CG 3.98Å; Q160-G162 VanDerWaalsContact C-N 3.28Å; Q160-G162 PolarHBondContact O-N 3.36Å; Q160-Q163 HydrophobicContact CB-CG 4.15Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.26Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; Q160-L164 PolarHBondContact O-N 3.02Å |
| 161 | S | 78.3 | Confident | 78.1 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113 | Q163 L164 K165 | S161-Q163 VanDerWaalsContact C-N 3.29Å; S161-Q163 PolarHBondContact O-N 2.95Å; S161-L164 PolarHBondContact O-N 3.37Å; S161-K165 PolarHBondContact O-N 3.46Å |
| 162 | G | 80.1 | Confident | 78.2 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q160 K165 T166 | Q160-G162 VanDerWaalsContact C-N 3.28Å; Q160-G162 PolarHBondContact O-N 3.36Å; G162-K165 PolarHBondContact O-N 3.24Å; G162-T166 WeakPolarHBondContact O-CG2 3.47Å; G162-T166 PolarHBondContact O-N 3.04Å; G162-T166 VanDerWaalsContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.21Å |
| 163 | Q | 80.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 177.2 | -63.3 | 173.8 | -4.6 | 0 | 0 | 111.6 | F158 Q160 S161 T166 H167 | F158-Q163 HydrophobicContact CB-CB 4.05Å; F158-Q163 HydrophobicContact CD1-CB 3.73Å; F158-Q163 HydrophobicContact CG-CB 4.08Å; Q160-Q163 HydrophobicContact CB-CG 4.15Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.26Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; S161-Q163 VanDerWaalsContact C-N 3.29Å; S161-Q163 PolarHBondContact O-N 2.95Å; Q163-T166 PolarHBondContact O-OG1 3.37Å; Q163-T166 VanDerWaalsContact O-OG1 3.11Å; Q163-H167 WeakPolarHBondContact O-CB 3.33Å; Q163-H167 PolarHBondContact O-N 3.11Å |
| 164 | L | 82.4 | Confident | 79.4 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 173.4 | 173.7 | 62.3 | 0 | 0 | 0 | 111.2 | L148 C149 F158 Q160 S161 T166 H167 Q168 | L148-L164 VanDerWaalsContact O-CD1 3.27Å; L148-L164 WeakPolarHBondContact O-CD1 3.49Å; L148-L164 VanDerWaalsContact O-CD2 3.31Å; L148-L164 WeakPolarHBondContact O-CD2 3.5Å; C149-L164 HydrophobicContact CB-CD1 4.09Å; F158-L164 HydrophobicContact CB-CB 4.49Å; F158-L164 HydrophobicContact CD2-CB 4.12Å; F158-L164 HydrophobicContact CD2-CD1 4.04Å; F158-L164 HydrophobicContact CE2-CD1 4.32Å; Q160-L164 PolarHBondContact O-N 3.02Å; S161-L164 PolarHBondContact O-N 3.37Å; L164-T166 PolarHBondContact O-N 2.76Å; L164-H167 CarbonylContact O-C 3.55Å; L164-H167 WeakPolarHBondContact O-CB 3.47Å; L164-H167 PolarHBondContact O-N 3.5Å; L164-H167 VanDerWaalsContact O-N 3.15Å; L164-Q168 HydrophobicContact CD1-CG 4.16Å; L164-Q168 HydrophobicContact CG-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CG 3.35Å; L164-Q168 PolarHBondContact O-N 3.35Å |
| 165 | K | 82.1 | Confident | 79.6 | Confident | 139 Ų | 139 | 62.9 Ų | 62.9 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 178.1 | -73.5 | -175.5 | 179.9 | -173.7 | 0 | 112.3 | S161 G162 H167 Q168 R169 | S161-K165 PolarHBondContact O-N 3.46Å; G162-K165 PolarHBondContact O-N 3.24Å; K165-H167 VanDerWaalsContact C-N 3.3Å; K165-Q168 PolarHBondContact O-N 3.05Å; K165-R169 PolarHBondContact O-N 3.08Å |
| 166 | T | 81.9 | Confident | 80.1 | Confident | 35 Ų | 35 | 61 Ų | 61 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.9 | -30.5 | 177 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | G162 Q163 L164 R169 H190 | G162-T166 WeakPolarHBondContact O-CG2 3.47Å; G162-T166 PolarHBondContact O-N 3.04Å; G162-T166 VanDerWaalsContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.21Å; Q163-T166 PolarHBondContact O-OG1 3.37Å; Q163-T166 VanDerWaalsContact O-OG1 3.11Å; L164-T166 PolarHBondContact O-N 2.76Å; T166-R169 WeakPolarHBondContact O-CB 3.31Å; T166-H190 VanDerWaalsContact CB-NE2 3.26Å; T166-H190 WeakPolarHBondContact CB-NE2 3.33Å; T166-H190 PolarHBondContact OG1-NE2 2.74Å |
| 167 | H | 82.3 | Confident | 80.6 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.06 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 172.9 | 173.8 | 61.4 | 0 | 0 | 0 | 112.4 | C149 C154 F158 Q163 L164 K165 R169 L170 H171 | C149-H167 VanDerWaalsContact SG-CD2 3.54Å; C149-H167 PolarHBondContact SG-NE2 3.06Å; C149-H167 VanDerWaalsContact SG-NE2 3.38Å; C154-H167 PolarHBondContact SG-NE2 3.06Å; F158-H167 HydrophobicContact CE1-CB 4.17Å; F158-H167 HydrophobicContact CE2-CB 3.69Å; F158-H167 AromaticContact CE2-CD2 3.38Å; F158-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F158-H167 AromaticContact CE2-CG 3.46Å; F158-H167 VanDerWaalsContact CE2-CG 3.46Å; F158-H167 HydrophobicContact CZ-CB 3.45Å; F158-H167 VanDerWaalsContact CZ-CB 3.45Å; F158-H167 AromaticContact CZ-CD2 3.65Å; F158-H167 AromaticContact CZ-CG 3.26Å; F158-H167 AromaticContact CZ-ND1 3.74Å; Q163-H167 WeakPolarHBondContact O-CB 3.33Å; Q163-H167 PolarHBondContact O-N 3.11Å; L164-H167 CarbonylContact O-C 3.55Å; L164-H167 WeakPolarHBondContact O-CB 3.47Å; L164-H167 PolarHBondContact O-N 3.5Å; L164-H167 VanDerWaalsContact O-N 3.15Å; K165-H167 VanDerWaalsContact C-N 3.3Å; H167-R169 PolarHBondContact O-N 2.88Å; H167-L170 WeakPolarHBondContact O-CB 3.21Å; H167-L170 WeakPolarHBondContact O-CG 3.42Å; H167-L170 PolarHBondContact O-N 3.44Å; H167-H171 AromaticContact CE1-NE2 3.67Å; H167-H171 AromaticContact NE2-CD2 3.97Å; H167-H171 AromaticContact NE2-NE2 3.23Å; H167-H171 PolarHBondContact NE2-NE2 3.06Å |
| 168 | Q | 80 | Confident | 81 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59 | -31.8 | 177.2 | -77.2 | 171.9 | -27.6 | 0 | 0 | 112.4 | D150 L164 K165 L170 H171 T172 | D150-Q168 PolarHBondContact OD2-NE2 3.49Å; L164-Q168 HydrophobicContact CD1-CG 4.16Å; L164-Q168 HydrophobicContact CG-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CG 3.35Å; L164-Q168 PolarHBondContact O-N 3.35Å; K165-Q168 PolarHBondContact O-N 3.05Å; Q168-L170 PolarHBondContact O-N 3.05Å; Q168-L170 VanDerWaalsContact O-N 3.13Å; Q168-H171 WeakPolarHBondContact O-CB 3.46Å; Q168-H171 PolarHBondContact O-N 3.06Å; Q168-T172 PolarHBondContact O-N 3.23Å; Q168-T172 VanDerWaalsContact O-N 3.1Å |
| 169 | R | 83.6 | Confident | 81.4 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -20.3 | 172.9 | -65.5 | 177.8 | -173.3 | 166.3 | 0.3 | 114.2 | K165 T166 H167 H171 T172 G173 E174 F177 T189 | K165-R169 PolarHBondContact O-N 3.08Å; T166-R169 WeakPolarHBondContact O-CB 3.31Å; H167-R169 PolarHBondContact O-N 2.88Å; R169-H171 VanDerWaalsContact C-N 3.33Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; R169-G173 CarbonylContact O-C 3.26Å; R169-G173 WeakPolarHBondContact O-CA 3.41Å; R169-G173 PolarHBondContact O-N 2.92Å; R169-E174 HydrophobicContact CB-CB 4.38Å; R169-E174 HydrophobicContact CG-CB 4.23Å; R169-E174 PolarHBondContact O-N 3.3Å; R169-F177 VanDerWaalsContact NH1-CE2 3.25Å; R169-T189 PolarHBondContact NH1-O 3.5Å |
| 170 | L | 79 | Confident | 81.9 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73 | -30.6 | 173.9 | -59.1 | 176.1 | 0 | 0 | 0 | 111.7 | H167 Q168 T189 | H167-L170 WeakPolarHBondContact O-CB 3.21Å; H167-L170 WeakPolarHBondContact O-CG 3.42Å; H167-L170 PolarHBondContact O-N 3.44Å; Q168-L170 PolarHBondContact O-N 3.05Å; Q168-L170 VanDerWaalsContact O-N 3.13Å; L170-T189 HydrophobicContact CD2-CG2 4.36Å |
| 171 | H | 77.9 | Confident | 82.1 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -81.1 | -41.2 | 176.7 | -61.5 | -55 | 0 | 0 | 0 | 111.4 | C149 Y151 C154 H167 Q168 R169 G173 | C149-H171 VanDerWaalsContact SG-CD2 3.6Å; C149-H171 PolarHBondContact SG-NE2 3.39Å; Y151-H171 AromaticContact CD1-CE1 3.81Å; Y151-H171 AromaticContact CD1-ND1 3.71Å; Y151-H171 HydrophobicContact CD2-CB 3.68Å; Y151-H171 AromaticContact CD2-CG 3.76Å; Y151-H171 HydrophobicContact CE2-CB 3.93Å; Y151-H171 HydrophobicContact CG-CB 4.11Å; Y151-H171 AromaticContact CG-CD2 3.82Å; Y151-H171 AromaticContact CG-CE1 3.9Å; Y151-H171 AromaticContact CG-CG 3.64Å; Y151-H171 AromaticContact CG-ND1 3.75Å; Y151-H171 AromaticContact CG-NE2 3.98Å; C154-H171 VanDerWaalsContact SG-CE1 3.58Å; C154-H171 PolarHBondContact SG-NE2 3.12Å; C154-H171 VanDerWaalsContact SG-NE2 3.36Å; H167-H171 AromaticContact CE1-NE2 3.67Å; H167-H171 AromaticContact NE2-CD2 3.97Å; H167-H171 AromaticContact NE2-NE2 3.23Å; H167-H171 PolarHBondContact NE2-NE2 3.06Å; Q168-H171 WeakPolarHBondContact O-CB 3.46Å; Q168-H171 PolarHBondContact O-N 3.06Å; R169-H171 VanDerWaalsContact C-N 3.33Å; H171-G173 VanDerWaalsContact C-N 3.31Å |
| 172 | T | 77.8 | Confident | 82.1 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -80.5 | -12.5 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | Q168 R169 E174 | Q168-T172 PolarHBondContact O-N 3.23Å; Q168-T172 VanDerWaalsContact O-N 3.1Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; T172-E174 PolarHBondContact O-N 2.67Å; T172-E174 WeakPolarHBondContact OG1-CG 3.45Å |
| 173 | G | 78.3 | Confident | 82 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | trans | 71.1 | 6.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R169 H171 K175 | R169-G173 CarbonylContact O-C 3.26Å; R169-G173 WeakPolarHBondContact O-CA 3.41Å; R169-G173 PolarHBondContact O-N 2.92Å; H171-G173 VanDerWaalsContact C-N 3.31Å; G173-K175 PolarHBondContact O-N 2.66Å | ||
| 174 | E | 81.8 | Confident | 82.2 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | trans | -64.2 | 123.5 | -177.3 | -76.8 | 179.1 | -170.5 | 0 | 0 | 112.4 | R169 T172 P176 | R169-E174 HydrophobicContact CB-CB 4.38Å; R169-E174 HydrophobicContact CG-CB 4.23Å; R169-E174 PolarHBondContact O-N 3.3Å; T172-E174 PolarHBondContact O-N 2.67Å; T172-E174 WeakPolarHBondContact OG1-CG 3.45Å; E174-P176 WeakPolarHBondContact O-CD 3.32Å | ||
| 175 | K | 82.9 | Confident | 82 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 47% | 0.47 | 37% | 0.37 | S | S | . | . | trans | -120.3 | 80.9 | 175.2 | -66.1 | 173.1 | -174.2 | 177.3 | 0 | 109.5 | G173 F177 R187 F188 T189 | G173-K175 PolarHBondContact O-N 2.66Å; K175-F177 VanDerWaalsContact C-N 3.26Å; K175-F177 PolarHBondContact O-N 2.92Å; K175-R187 HydrophobicContact CB-CB 3.67Å; K175-R187 HydrophobicContact CD-CB 4.12Å; K175-R187 PolarHBondContact O-NE 2.77Å; K175-R187 VanDerWaalsContact O-NE 3.15Å; K175-R187 PolarHBondContact O-NH2 3.48Å; K175-R187 VanDerWaalsContact O-NH2 3.07Å; K175-F188 CarbonylContact C-O 3.57Å; K175-F188 VanDerWaalsContact CA-O 3.27Å; K175-F188 WeakPolarHBondContact CA-O 3.37Å; K175-T189 HydrophobicContact CG-CG2 3.78Å | ||
| 176 | P | 84.1 | Confident | 82.1 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | trans | -76.9 | -10.8 | -175.5 | 30 | -34.5 | 0 | 0 | 0 | 113.2 | E174 R205 E206 | E174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-R205 WeakPolarHBondContact O-CA 3.34Å; P176-E206 PolarHBondContact O-N 2.94Å | ||
| 177 | F | 85.6 | Confident | 82.3 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126 | -178.9 | -59.5 | -75.2 | 0 | 0 | 0 | 110.7 | R169 K175 R187 F188 T189 H190 A191 L203 N204 R205 | R169-F177 VanDerWaalsContact NH1-CE2 3.25Å; K175-F177 VanDerWaalsContact C-N 3.26Å; K175-F177 PolarHBondContact O-N 2.92Å; F177-R187 CarbonylContact O-C 3.44Å; F177-R187 VanDerWaalsContact O-CA 3.25Å; F177-R187 WeakPolarHBondContact O-CA 3.48Å; F177-F188 HydrophobicContact CB-CB 4.2Å; F177-F188 PolarHBondContact N-O 3.22Å; F177-F188 VanDerWaalsContact N-O 3.14Å; F177-F188 PolarHBondContact O-N 3.33Å; F177-T189 WeakPolarHBondContact CE2-O 3.38Å; F177-H190 VanDerWaalsContact CE2-C 3.48Å; F177-A191 HydrophobicContact CD1-CB 4.05Å; F177-A191 HydrophobicContact CE1-CB 3.56Å; F177-A191 HydrophobicContact CE2-CB 4.13Å; F177-A191 HydrophobicContact CZ-CB 3.6Å; F177-L203 HydrophobicContact CB-CB 4.08Å; F177-L203 HydrophobicContact CB-CD1 3.92Å; F177-N204 CarbonylContact C-O 3.36Å; F177-N204 VanDerWaalsContact CA-O 3.3Å; F177-N204 WeakPolarHBondContact CA-O 3.4Å; F177-R205 HydrophobicContact CD1-CB 4.03Å; F177-R205 HydrophobicContact CD1-CG 4.33Å; F177-R205 HydrophobicContact CE1-CB 3.93Å; F177-R205 HydrophobicContact CE1-CG 3.98Å |
| 178 | V | 86.9 | Confident | 82.3 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 11% | 0.109 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.2 | -179.2 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | S180 S186 R187 L203 N204 E206 | V178-S180 PolarHBondContact O-N 3.47Å; V178-S186 WeakPolarHBondContact CA-O 3.35Å; V178-R187 HydrophobicContact CG2-CG 4.15Å; V178-R187 VanDerWaalsContact CG2-CZ 3.42Å; V178-L203 CarbonylContact O-C 3.52Å; V178-L203 WeakPolarHBondContact O-CA 3.29Å; V178-N204 PolarHBondContact N-O 2.93Å; V178-N204 PolarHBondContact O-N 3.38Å; V178-E206 VanDerWaalsContact CG2-CD 3.42Å; V178-E206 HydrophobicContact CG2-CG 3.88Å; V178-E206 WeakPolarHBondContact CG2-OE2 3.31Å |
| 179 | C | 89.1 | Confident | 82.4 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 129.2 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | E181 C184 S186 C195 H198 L203 | C179-E181 PolarHBondContact O-N 3.27Å; C179-C184 HydrophobicContact CB-CB 4.01Å; C179-S186 PolarHBondContact N-O 2.85Å; C179-C195 HydrophobicContact CB-CB 4.32Å; C179-H198 PolarHBondContact SG-ND1 3.24Å; C179-H198 VanDerWaalsContact SG-ND1 3.44Å; C179-L203 HydrophobicContact CB-CD2 4.3Å |
| 180 | S | 85.4 | Confident | 82.3 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -71.3 | -12.7 | -178.8 | -48 | 0 | 0 | 0 | 0 | 113.6 | V178 R202 N204 | V178-S180 PolarHBondContact O-N 3.47Å; S180-R202 PolarHBondContact N-O 3.38Å; S180-R202 PolarHBondContact OG-O 2.87Å; S180-N204 PolarHBondContact OG-ND2 3.36Å; S180-N204 VanDerWaalsContact OG-ND2 3.17Å; S180-N204 PolarHBondContact OG-OD1 3.18Å |
| 181 | E | 84.8 | Confident | 82.3 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72.6 | 128.8 | 179 | -65.1 | -61.8 | 161.7 | 0 | 0 | 111.8 | C179 G183 C184 H198 S201 | C179-E181 PolarHBondContact O-N 3.27Å; E181-G183 PolarHBondContact O-N 3.13Å; E181-C184 HydrophobicContact CB-CB 4.2Å; E181-C184 WeakPolarHBondContact O-CB 3.49Å; E181-C184 PolarHBondContact O-N 3.07Å; E181-H198 HydrophobicContact CG-CB 3.86Å; E181-S201 VanDerWaalsContact CG-OG 3.29Å; E181-S201 WeakPolarHBondContact CG-OG 3.38Å; E181-S201 WeakPolarHBondContact OE1-CB 3.17Å; E181-S201 PolarHBondContact OE1-OG 3.45Å |
| 182 | K | 78.3 | Confident | 82.3 | Confident | 209 Ų | 209 | 65 Ų | 65 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 131.6 | 178.8 | -68 | -161.6 | 177.2 | -173.6 | 0 | 109.9 | C184 | K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 PolarHBondContact O-N 3.46Å |
| 183 | G | 78.1 | Confident | 82.5 | Confident | 92 Ų | 92 | 68 Ų | 68 | 95% | 0.948 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -1.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E181 | E181-G183 PolarHBondContact O-N 3.13Š|
| 184 | C | 84.3 | Confident | 82.8 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | trans | -79.1 | -41.8 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 114 | C179 E181 K182 S186 C195 H198 | C179-C184 HydrophobicContact CB-CB 4.01Å; E181-C184 HydrophobicContact CB-CB 4.2Å; E181-C184 WeakPolarHBondContact O-CB 3.49Å; E181-C184 PolarHBondContact O-N 3.07Å; K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 PolarHBondContact O-N 3.46Å; C184-S186 PolarHBondContact O-N 2.97Å; C184-S186 PolarHBondContact O-OG 2.98Å; C184-S186 PolarHBondContact SG-OG 3.33Å; C184-C195 PolarHBondContact SG-SG 3.33Å; C184-H198 VanDerWaalsContact CB-CE1 3.48Å; C184-H198 WeakPolarHBondContact CB-CE1 3.47Å; C184-H198 PolarHBondContact SG-CE1 3.11Å; C184-H198 PolarHBondContact SG-ND1 2.92Å | ||
| 185 | G | 78.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 67 Ų | 67 | 62% | 0.619 | 37% | 0.365 | S | S | * | . | trans | 59.1 | 3.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R187 | G185-R187 PolarHBondContact O-N 3Š| ||
| 186 | S | 83.3 | Confident | 83 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | trans | -73.9 | 127.9 | -172.5 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | V178 C179 C184 | V178-S186 WeakPolarHBondContact CA-O 3.35Å; C179-S186 PolarHBondContact N-O 2.85Å; C184-S186 PolarHBondContact O-N 2.97Å; C184-S186 PolarHBondContact O-OG 2.98Å; C184-S186 PolarHBondContact SG-OG 3.33Å | ||
| 187 | R | 85.7 | Confident | 82.9 | Confident | 112 Ų | 112 | 73.9 Ų | 73.9 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.5 | -178 | -47.7 | -173.2 | 68.8 | 95.5 | 2.1 | 112.3 | K175 F177 V178 G185 E206 | K175-R187 HydrophobicContact CB-CB 3.67Å; K175-R187 HydrophobicContact CD-CB 4.12Å; K175-R187 PolarHBondContact O-NE 2.77Å; K175-R187 VanDerWaalsContact O-NE 3.15Å; K175-R187 PolarHBondContact O-NH2 3.48Å; K175-R187 VanDerWaalsContact O-NH2 3.07Å; F177-R187 CarbonylContact O-C 3.44Å; F177-R187 VanDerWaalsContact O-CA 3.25Å; F177-R187 WeakPolarHBondContact O-CA 3.48Å; V178-R187 HydrophobicContact CG2-CG 4.15Å; V178-R187 VanDerWaalsContact CG2-CZ 3.42Å; G185-R187 PolarHBondContact O-N 3Å; R187-E206 IonicContact CZ-OE2 3.2Å; R187-E206 IonicContact NH1-OE2 2.78Å; R187-E206 PolarHBondContact NH1-OE2 3.22Å; R187-E206 IonicContact NH2-OE2 2.73Å; R187-E206 PolarHBondContact NH2-OE2 2.99Å |
| 188 | F | 82.9 | Confident | 82.8 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 6% | 0.061 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.6 | -173.1 | -52.6 | -77.5 | 0 | 0 | 0 | 112.1 | K175 F177 R193 C195 L203 | K175-F188 CarbonylContact C-O 3.57Å; K175-F188 VanDerWaalsContact CA-O 3.27Å; K175-F188 WeakPolarHBondContact CA-O 3.37Å; F177-F188 HydrophobicContact CB-CB 4.2Å; F177-F188 PolarHBondContact N-O 3.22Å; F177-F188 VanDerWaalsContact N-O 3.14Å; F177-F188 PolarHBondContact O-N 3.33Å; F188-R193 HydrophobicContact CB-CB 4.31Å; F188-R193 HydrophobicContact CD1-CB 4.19Å; F188-R193 HydrophobicContact CD1-CG 4.29Å; F188-R193 HydrophobicContact CG-CB 4.3Å; F188-C195 HydrophobicContact CE2-CB 4.18Å; F188-C195 HydrophobicContact CZ-CB 4.01Å; F188-L203 HydrophobicContact CB-CD1 3.94Å; F188-L203 HydrophobicContact CD2-CD1 3.47Å; F188-L203 VanDerWaalsContact CD2-CD1 3.47Å; F188-L203 HydrophobicContact CD2-CD2 3.5Å; F188-L203 VanDerWaalsContact CD2-CD2 3.5Å; F188-L203 HydrophobicContact CD2-CG 4.14Å; F188-L203 HydrophobicContact CE2-CD1 4.24Å; F188-L203 HydrophobicContact CE2-CD2 3.52Å; F188-L203 HydrophobicContact CG-CD1 3.9Å |
| 189 | T | 82.4 | Confident | 82.5 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 9% | 0.086 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -84.8 | -22.5 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | R169 L170 K175 F177 | R169-T189 PolarHBondContact NH1-O 3.5Å; L170-T189 HydrophobicContact CD2-CG2 4.36Å; K175-T189 HydrophobicContact CG-CG2 3.78Å; F177-T189 WeakPolarHBondContact CE2-O 3.38Å |
| 190 | H | 81.5 | Confident | 82.2 | Confident | 72 Ų | 72 | 86.9 Ų | 86.9 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -126.5 | 144.3 | -176 | -64.8 | 78.1 | 0 | 0 | 0 | 111.4 | T166 F177 N192 | T166-H190 VanDerWaalsContact CB-NE2 3.26Å; T166-H190 WeakPolarHBondContact CB-NE2 3.33Å; T166-H190 PolarHBondContact OG1-NE2 2.74Å; F177-H190 VanDerWaalsContact CE2-C 3.48Å; H190-N192 VanDerWaalsContact C-N 3.35Å |
| 191 | A | 78.1 | Confident | 82 | Confident | 53 Ų | 53 | 85.9 Ų | 85.9 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F177 R193 | F177-A191 HydrophobicContact CD1-CB 4.05Å; F177-A191 HydrophobicContact CE1-CB 3.56Å; F177-A191 HydrophobicContact CE2-CB 4.13Å; F177-A191 HydrophobicContact CZ-CB 3.6Å; A191-R193 PolarHBondContact O-N 3.06Å |
| 192 | N | 78.6 | Confident | 81.8 | Confident | 152 Ų | 152 | 91 Ų | 91 | 81% | 0.813 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 9.7 | -175.8 | -64 | 0.7 | 0 | 0 | 0 | 112.9 | H190 | H190-N192 VanDerWaalsContact C-N 3.35Š|
| 193 | R | 81.9 | Confident | 82.2 | Confident | 148 Ų | 148 | 82.5 Ų | 82.5 | 56% | 0.558 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 137.5 | 176.4 | -137.5 | -176 | -172 | 176.2 | -3 | 108.6 | F188 A191 L203 | F188-R193 HydrophobicContact CB-CB 4.31Å; F188-R193 HydrophobicContact CD1-CB 4.19Å; F188-R193 HydrophobicContact CD1-CG 4.29Å; F188-R193 HydrophobicContact CG-CB 4.3Å; A191-R193 PolarHBondContact O-N 3.06Å; R193-L203 HydrophobicContact CB-CD1 4.43Å; R193-L203 WeakPolarHBondContact O-CD1 3.4Å |
| 194 | H | 84.4 | Confident | 82.4 | Confident | 130 Ų | 130 | 82.4 Ų | 82.4 | 60% | 0.602 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 145.1 | 172.7 | -64.3 | -77.2 | 0 | 0 | 0 | 109.7 | P196 P199 | H194-P196 WeakPolarHBondContact O-CD 3.42Å; H194-P199 PolarHBondContact ND1-O 3.39Å |
| 195 | C | 84.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 126.9 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | C179 C184 F188 K197 H198 P199 | C179-C195 HydrophobicContact CB-CB 4.32Å; C184-C195 PolarHBondContact SG-SG 3.33Å; F188-C195 HydrophobicContact CE2-CB 4.18Å; F188-C195 HydrophobicContact CZ-CB 4.01Å; C195-K197 PolarHBondContact O-N 3.16Å; C195-H198 HydrophobicContact CB-CB 4.06Å; C195-H198 CarbonylContact O-C 3.52Å; C195-H198 PolarHBondContact O-N 3.34Å; C195-P199 WeakPolarHBondContact O-CA 3.31Å; C195-P199 VanDerWaalsContact O-N 3.16Å |
| 196 | P | 83.5 | Confident | 82.5 | Confident | 116 Ų | 116 | 91 Ų | 91 | 75% | 0.753 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -59.3 | -31.6 | 179.2 | -24.3 | 33.5 | 0 | 0 | 0 | 113.1 | H194 | H194-P196 WeakPolarHBondContact O-CD 3.42Š|
| 197 | K | 82.3 | Confident | 81.8 | Confident | 154 Ų | 154 | 97.4 Ų | 97.4 | 67% | 0.67 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -80.6 | -25.6 | 176.9 | -60.6 | -174.5 | 178.2 | -175.9 | 0 | 112.5 | C195 | C195-K197 PolarHBondContact O-N 3.16Š|
| 198 | H | 84.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 97 Ų | 97 | 25% | 0.25 | 47% | 0.472 | C | S | . | . | trans | -140.1 | 72.4 | -172.2 | -47.2 | 117.4 | 0 | 0 | 0 | 110.6 | C179 E181 C184 C195 F200 S201 | C179-H198 PolarHBondContact SG-ND1 3.24Å; C179-H198 VanDerWaalsContact SG-ND1 3.44Å; E181-H198 HydrophobicContact CG-CB 3.86Å; C184-H198 VanDerWaalsContact CB-CE1 3.48Å; C184-H198 WeakPolarHBondContact CB-CE1 3.47Å; C184-H198 PolarHBondContact SG-CE1 3.11Å; C184-H198 PolarHBondContact SG-ND1 2.92Å; C195-H198 HydrophobicContact CB-CB 4.06Å; C195-H198 CarbonylContact O-C 3.52Å; C195-H198 PolarHBondContact O-N 3.34Å; H198-F200 PolarHBondContact O-N 2.81Å; H198-S201 WeakPolarHBondContact CB-OG 3.27Å; H198-S201 PolarHBondContact O-N 2.91Å; H198-S201 VanDerWaalsContact O-N 3.14Å | ||
| 199 | P | 81.6 | Confident | 79 | Confident | 65 Ų | 65 | 105.8 Ų | 105.8 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.9 | -170.1 | 21.4 | -31.8 | 0 | 0 | 0 | 113.5 | H194 C195 | H194-P199 PolarHBondContact ND1-O 3.39Å; C195-P199 WeakPolarHBondContact O-CA 3.31Å; C195-P199 VanDerWaalsContact O-N 3.16Å |
| 200 | F | 82.6 | Confident | 77 | Confident | 201 Ų | 201 | 110.4 Ų | 110.4 | 88% | 0.882 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -13.4 | 179.3 | -59.1 | -70 | 0 | 0 | 0 | 114 | H198 | H198-F200 PolarHBondContact O-N 2.81Š|
| 201 | S | 80.8 | Confident | 75.4 | Confident | 24 Ų | 24 | 109.9 Ų | 109.9 | 17% | 0.168 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -77.2 | 139.6 | -175.1 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | E181 H198 | E181-S201 VanDerWaalsContact CG-OG 3.29Å; E181-S201 WeakPolarHBondContact CG-OG 3.38Å; E181-S201 WeakPolarHBondContact OE1-CB 3.17Å; E181-S201 PolarHBondContact OE1-OG 3.45Å; H198-S201 WeakPolarHBondContact CB-OG 3.27Å; H198-S201 PolarHBondContact O-N 2.91Å; H198-S201 VanDerWaalsContact O-N 3.14Å |
| 202 | R | 81.2 | Confident | 73.6 | Confident | 195 Ų | 195 | 116 Ų | 116 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -68 | 154 | 176.6 | -65.4 | -175.5 | -177.7 | 169.9 | 4.1 | 109.4 | S180 | S180-R202 PolarHBondContact N-O 3.38Å; S180-R202 PolarHBondContact OG-O 2.87Å |
| 203 | L | 85.6 | Confident | 71.4 | Confident | 29 Ų | 29 | 112.3 Ų | 112.3 | 15% | 0.152 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.8 | 164.8 | -58.4 | -173.3 | 0 | 0 | 0 | 108.3 | F177 V178 C179 F188 R193 | F177-L203 HydrophobicContact CB-CB 4.08Å; F177-L203 HydrophobicContact CB-CD1 3.92Å; V178-L203 CarbonylContact O-C 3.52Å; V178-L203 WeakPolarHBondContact O-CA 3.29Å; C179-L203 HydrophobicContact CB-CD2 4.3Å; F188-L203 HydrophobicContact CB-CD1 3.94Å; F188-L203 HydrophobicContact CD2-CD1 3.47Å; F188-L203 VanDerWaalsContact CD2-CD1 3.47Å; F188-L203 HydrophobicContact CD2-CD2 3.5Å; F188-L203 VanDerWaalsContact CD2-CD2 3.5Å; F188-L203 HydrophobicContact CD2-CG 4.14Å; F188-L203 HydrophobicContact CE2-CD1 4.24Å; F188-L203 HydrophobicContact CE2-CD2 3.52Å; F188-L203 HydrophobicContact CG-CD1 3.9Å; R193-L203 HydrophobicContact CB-CD1 4.43Å; R193-L203 WeakPolarHBondContact O-CD1 3.4Å |
| 204 | N | 83.3 | Confident | 69 | Low | 91 Ų | 91 | 115 Ų | 115 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 139.1 | 169.6 | -72.1 | -13.1 | 0 | 0 | 0 | 109.1 | F177 V178 S180 | F177-N204 CarbonylContact C-O 3.36Å; F177-N204 VanDerWaalsContact CA-O 3.3Å; F177-N204 WeakPolarHBondContact CA-O 3.4Å; V178-N204 PolarHBondContact N-O 2.93Å; V178-N204 PolarHBondContact O-N 3.38Å; S180-N204 PolarHBondContact OG-ND2 3.36Å; S180-N204 VanDerWaalsContact OG-ND2 3.17Å; S180-N204 PolarHBondContact OG-OD1 3.18Å |
| 205 | R | 83.1 | Confident | 66.7 | Low | 170 Ų | 170 | 113.3 Ų | 113.3 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87 | 116.2 | 170.3 | -174.4 | 179 | 178.5 | -166.4 | -5.2 | 108 | P176 F177 | P176-R205 WeakPolarHBondContact O-CA 3.34Å; F177-R205 HydrophobicContact CD1-CB 4.03Å; F177-R205 HydrophobicContact CD1-CG 4.33Å; F177-R205 HydrophobicContact CE1-CB 3.93Å; F177-R205 HydrophobicContact CE1-CG 3.98Å |
| 206 | E | 81.3 | Confident | 64.5 | Low | 85 Ų | 85 | 121.7 Ų | 121.7 | 40% | 0.397 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 133.5 | 166 | -67.4 | -175.3 | 165.6 | 0 | 0 | 108.7 | P176 V178 R187 | P176-E206 PolarHBondContact O-N 2.94Å; V178-E206 VanDerWaalsContact CG2-CD 3.42Å; V178-E206 HydrophobicContact CG2-CG 3.88Å; V178-E206 WeakPolarHBondContact CG2-OE2 3.31Å; R187-E206 IonicContact CZ-OE2 3.2Å; R187-E206 IonicContact NH1-OE2 2.78Å; R187-E206 PolarHBondContact NH1-OE2 3.22Å; R187-E206 IonicContact NH2-OE2 2.73Å; R187-E206 PolarHBondContact NH2-OE2 2.99Å |
| 207 | E | 69.3 | Low | 62.3 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.2 | 170.9 | -60.6 | -155.4 | 129.6 | 0 | 0 | 109.4 | K209 | E207-K209 PolarHBondContact O-N 3.37Å; E207-K209 VanDerWaalsContact O-N 3.08Å |
| 208 | P | 58.5 | Low | 60.7 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 119.1 | 173.8 | 25 | -30.7 | 0 | 0 | 0 | 107.9 | A210 | P208-A210 PolarHBondContact O-N 3.39Å; P208-A210 VanDerWaalsContact O-N 3.08Å |
| 209 | K | 50.1 | Low | 58.8 | Low | 197 Ų | 197 | 120.2 Ų | 120.2 | 86% | 0.857 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.7 | 172.9 | -67.9 | -176 | 179.2 | -178.6 | 0 | 107.3 | E207 G211 | E207-K209 PolarHBondContact O-N 3.37Å; E207-K209 VanDerWaalsContact O-N 3.08Å; K209-G211 PolarHBondContact O-N 3.42Å |
| 210 | A | 41.5 | Very low | 57.6 | Low | 111 Ų | 111 | 123.4 Ų | 123.4 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -58.6 | 105.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P208 | P208-A210 PolarHBondContact O-N 3.39Å; P208-A210 VanDerWaalsContact O-N 3.08Å |
| 211 | G | 47.2 | Very low | 56.2 | Low | 61 Ų | 61 | 121.1 Ų | 121.1 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 111.8 | 74.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K209 | K209-G211 PolarHBondContact O-N 3.42Š|
| 212 | L | 39.3 | Very low | 54.7 | Low | 183 Ų | 183 | 123 Ų | 123 | 96% | 0.958 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -177 | 110.3 | 141.9 | -101.2 | 144.7 | 0 | 0 | 0 | 108.7 | ||
| 213 | G | 33.1 | Very low | 53.2 | Low | 74 Ų | 74 | 115 Ų | 115 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | trans | 113.2 | 92.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A215 | G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.09Å | ||
| 214 | K | 30.6 | Very low | 51.6 | Low | 205 Ų | 205 | 116.3 Ų | 116.3 | 89% | 0.891 | 66% | 0.662 | S | S | * | * | trans | -49 | 119.3 | 165.8 | -62.3 | 178.1 | -179.8 | -175 | 0 | 107.1 | Q216 | K214-Q216 PolarHBondContact O-N 3.15Š| ||
| 215 | A | 36.8 | Very low | 50.7 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | trans | -54.4 | 112.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | G213 S217 | G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.09Å; A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.48Å | ||
| 216 | Q | 38.2 | Very low | 50.1 | Low | 176 Ų | 176 | 113.8 Ų | 113.8 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | trans | -57.7 | 107.6 | 166 | -80.7 | 177.2 | -29.2 | 0 | 0 | 104.6 | K214 V218 | K214-Q216 PolarHBondContact O-N 3.15Å; Q216-V218 PolarHBondContact O-N 3.19Å | ||
| 217 | S | 38.5 | Very low | 49 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -62.3 | 95.5 | 169.2 | 60.6 | 0 | 0 | 0 | 0 | 105.2 | A215 D219 | A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.48Å; S217-D219 PolarHBondContact O-N 3.07Å | ||
| 218 | V | 48.8 | Very low | 49 | Very low | 69 Ų | 69 | 106.9 Ų | 106.9 | 42% | 0.418 | 63% | 0.627 | S | S | . | * | trans | -56.8 | 122 | 161.1 | -94.3 | 0 | 0 | 0 | 0 | 105.7 | Q216 N220 | Q216-V218 PolarHBondContact O-N 3.19Å; V218-N220 PolarHBondContact O-N 3.41Å | ||
| 219 | D | 43.9 | Very low | 49.6 | Very low | 126 Ų | 126 | 108.2 Ų | 108.2 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | trans | -50.1 | 108.4 | -176.7 | -65.2 | -58.3 | 0 | 0 | 0 | 109.6 | S217 K221 A222 | S217-D219 PolarHBondContact O-N 3.07Å; D219-K221 PolarHBondContact O-N 3.42Å; D219-A222 PolarHBondContact O-N 3.39Å; D219-A222 VanDerWaalsContact O-N 3.08Å | ||
| 220 | N | 56.1 | Low | 50.1 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.6 | -17 | -173.9 | -73.2 | -41.2 | 0 | 0 | 0 | 112.7 | V218 A224 | V218-N220 PolarHBondContact O-N 3.41Å; N220-A224 VanDerWaalsContact O-CB 3.28Å; N220-A224 WeakPolarHBondContact O-CB 3.27Å; N220-A224 PolarHBondContact O-N 3.5Å |
| 221 | K | 52.3 | Low | 51.1 | Low | 153 Ų | 153 | 101.8 Ų | 101.8 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -47.1 | 176.4 | -170.4 | 175.8 | 179.4 | -179.1 | 0 | 113.2 | D219 V223 A224 E225 | D219-K221 PolarHBondContact O-N 3.42Å; K221-V223 VanDerWaalsContact C-N 3.29Å; K221-V223 PolarHBondContact O-N 3.08Å; K221-A224 PolarHBondContact O-N 2.92Å; K221-E225 VanDerWaalsContact CE-OE1 3.29Å; K221-E225 WeakPolarHBondContact CE-OE1 3.45Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 3.4Å |
| 222 | A | 49.4 | Very low | 52 | Low | 64 Ų | 64 | 105 Ų | 105 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -33.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D219 W226 | D219-A222 PolarHBondContact O-N 3.39Å; D219-A222 VanDerWaalsContact O-N 3.08Å; A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.45Å; A222-W226 PolarHBondContact O-N 2.75Å |
| 223 | V | 50 | Low | 52.7 | Low | 28 Ų | 28 | 100.1 Ų | 100.1 | 17% | 0.17 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | D150 K221 W226 L227 | D150-V223 HydrophobicContact CB-CG1 4.43Å; K221-V223 VanDerWaalsContact C-N 3.29Å; K221-V223 PolarHBondContact O-N 3.08Å; V223-W226 PolarHBondContact O-N 2.91Å; V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 2.89Å |
| 224 | A | 53.2 | Low | 53.5 | Low | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N220 K221 L227 A228 | N220-A224 VanDerWaalsContact O-CB 3.28Å; N220-A224 WeakPolarHBondContact O-CB 3.27Å; N220-A224 PolarHBondContact O-N 3.5Å; K221-A224 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 3.07Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.43Å |
| 225 | E | 63.9 | Low | 54.5 | Low | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.3 | -73.6 | 174.9 | -167.5 | 0 | 0 | 112.2 | K221 K229 | K221-E225 VanDerWaalsContact CE-OE1 3.29Å; K221-E225 WeakPolarHBondContact CE-OE1 3.45Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 3.4Å; E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.44Å; E225-K229 VanDerWaalsContact O-N 3.13Å |
| 226 | W | 69.8 | Low | 55 | Low | 111 Ų | 111 | 100.8 Ų | 100.8 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 174.5 | -179.4 | 86.6 | 0 | 0 | 0 | 112 | L148 A222 V223 A228 K229 Y230 | L148-W226 HydrophobicContact CB-CH2 3.97Å; L148-W226 HydrophobicContact CB-CZ3 3.94Å; L148-W226 HydrophobicContact CD1-CH2 3.65Å; L148-W226 HydrophobicContact CD1-CZ3 3.6Å; L148-W226 HydrophobicContact CD2-CH2 3.97Å; L148-W226 HydrophobicContact CG-CH2 4.03Å; L148-W226 HydrophobicContact CG-CZ3 4.22Å; A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.45Å; A222-W226 PolarHBondContact O-N 2.75Å; V223-W226 PolarHBondContact O-N 2.91Å; W226-A228 VanDerWaalsContact C-N 3.32Å; W226-A228 PolarHBondContact O-N 3.41Å; W226-K229 PolarHBondContact O-N 2.97Å; W226-Y230 HydrophobicContact CH2-CD2 4.27Å; W226-Y230 HydrophobicContact CH2-CG 4.47Å; W226-Y230 HydrophobicContact CZ2-CD2 4.34Å; W226-Y230 WeakPolarHBondContact O-CB 3.28Å; W226-Y230 PolarHBondContact O-N 3.15Å |
| 227 | L | 58.8 | Low | 55.1 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 29% | 0.288 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.4 | -75.2 | 171.4 | 0 | 0 | 0 | 111.1 | L148 V223 A224 K229 Y230 W231 | L148-L227 HydrophobicContact CD1-CD2 4.03Å; V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 2.89Å; A224-L227 PolarHBondContact O-N 3.07Å; L227-K229 PolarHBondContact O-N 3.26Å; L227-Y230 WeakPolarHBondContact O-CB 3.33Å; L227-Y230 PolarHBondContact O-N 3.43Å; L227-W231 PolarHBondContact O-N 2.83Å |
| 228 | A | 69.1 | Low | 54.9 | Low | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A224 W226 W231 Q232 | A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.43Å; W226-A228 VanDerWaalsContact C-N 3.32Å; W226-A228 PolarHBondContact O-N 3.41Å; A228-W231 PolarHBondContact O-N 3.35Å; A228-Q232 WeakPolarHBondContact O-CB 3.47Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å; A228-Q232 PolarHBondContact O-N 3Å; A228-Q232 VanDerWaalsContact O-N 3.08Å |
| 229 | K | 70.4 | Confident | 54.5 | Low | 134 Ų | 134 | 103.4 Ų | 103.4 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | 175.6 | -70.5 | 171.6 | -177.2 | 173.1 | 0 | 112.4 | E225 W226 L227 T233 | E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.44Å; E225-K229 VanDerWaalsContact O-N 3.13Å; W226-K229 PolarHBondContact O-N 2.97Å; L227-K229 PolarHBondContact O-N 3.26Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 3.23Å |
| 230 | Y | 62 | Low | 54.2 | Low | 59 Ų | 59 | 103.2 Ų | 103.2 | 23% | 0.231 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.9 | 176 | -92.9 | 0 | 0 | 0 | 112 | L148 W226 L227 T233 R234 | L148-Y230 HydrophobicContact CD1-CD1 3.71Å; L148-Y230 HydrophobicContact CD1-CD2 4.33Å; L148-Y230 HydrophobicContact CD1-CE1 3.56Å; L148-Y230 HydrophobicContact CD1-CE2 4.19Å; L148-Y230 HydrophobicContact CD1-CG 4.1Å; L148-Y230 HydrophobicContact CD2-CE2 4.27Å; W226-Y230 HydrophobicContact CH2-CD2 4.27Å; W226-Y230 HydrophobicContact CH2-CG 4.47Å; W226-Y230 HydrophobicContact CZ2-CD2 4.34Å; W226-Y230 WeakPolarHBondContact O-CB 3.28Å; W226-Y230 PolarHBondContact O-N 3.15Å; L227-Y230 WeakPolarHBondContact O-CB 3.33Å; L227-Y230 PolarHBondContact O-N 3.43Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.42Å; Y230-T233 PolarHBondContact O-N 3.42Å; Y230-T233 PolarHBondContact O-OG1 3.46Å; Y230-R234 VanDerWaalsContact O-CB 3.25Å; Y230-R234 WeakPolarHBondContact O-CB 3.22Å; Y230-R234 PolarHBondContact O-N 3.31Å |
| 231 | W | 62.9 | Low | 53.3 | Low | 113 Ų | 113 | 103.6 Ų | 103.6 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 177.2 | -72 | 110.4 | 0 | 0 | 0 | 111.9 | L227 A228 T233 R234 E235 | L227-W231 PolarHBondContact O-N 2.83Å; A228-W231 PolarHBondContact O-N 3.35Å; W231-T233 VanDerWaalsContact C-N 3.34Å; W231-T233 PolarHBondContact O-N 2.93Å; W231-R234 PolarHBondContact O-N 3.38Å; W231-R234 VanDerWaalsContact O-N 3.11Å; W231-E235 PolarHBondContact O-N 3.08Å |
| 232 | Q | 65.1 | Low | 52.5 | Low | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.1 | -42.4 | 174 | -76.4 | 174.6 | -0.6 | 0 | 0 | 112.9 | A228 R234 Q236 | A228-Q232 WeakPolarHBondContact O-CB 3.47Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å; A228-Q232 PolarHBondContact O-N 3Å; A228-Q232 VanDerWaalsContact O-N 3.08Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; Q232-Q236 WeakPolarHBondContact O-CG 3.37Å |
| 233 | T | 53.9 | Low | 51.9 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.6 | -21.8 | 177.6 | 44.3 | 0 | 0 | 0 | 0 | 113.4 | K229 Y230 W231 | K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 3.23Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.42Å; Y230-T233 PolarHBondContact O-N 3.42Å; Y230-T233 PolarHBondContact O-OG1 3.46Å; W231-T233 VanDerWaalsContact C-N 3.34Å; W231-T233 PolarHBondContact O-N 2.93Å |
| 234 | R | 50.5 | Low | 51 | Low | 72 Ų | 72 | 115.6 Ų | 115.6 | 27% | 0.272 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -81.3 | -38.2 | 176.9 | -172.4 | -179 | 136 | 126.4 | 8.9 | 112.2 | E144 Y230 W231 Q232 Q236 R237 A238 | E144-R234 IonicContact OE1-CZ 3.68Å; E144-R234 IonicContact OE1-NH1 3.99Å; E144-R234 IonicContact OE1-NH2 2.73Å; E144-R234 PolarHBondContact OE1-NH2 3.04Å; Y230-R234 VanDerWaalsContact O-CB 3.25Å; Y230-R234 WeakPolarHBondContact O-CB 3.22Å; Y230-R234 PolarHBondContact O-N 3.31Å; W231-R234 PolarHBondContact O-N 3.38Å; W231-R234 VanDerWaalsContact O-N 3.11Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; R234-Q236 PolarHBondContact O-N 3.02Å; R234-R237 PolarHBondContact O-N 3.34Å; R234-R237 VanDerWaalsContact O-N 3.09Å; R234-A238 PolarHBondContact O-N 3.29Å |
| 235 | E | 51.6 | Low | 50.2 | Low | 148 Ų | 148 | 121.2 Ų | 121.2 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -56.8 | -38 | 173 | -136.1 | 86 | -145.4 | 0 | 0 | 111.2 | W231 R237 A238 | W231-E235 PolarHBondContact O-N 3.08Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.28Å; E235-A238 PolarHBondContact O-N 2.98Å |
| 236 | Q | 45.8 | Very low | 48.7 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -14 | 179.1 | -65.4 | -179.9 | 6.7 | 0 | 0 | 114.3 | Q232 R234 | Q232-Q236 WeakPolarHBondContact O-CG 3.37Å; R234-Q236 PolarHBondContact O-N 3.02Å |
| 237 | R | 42 | Very low | 47 | Very low | 220 Ų | 220 | 126 Ų | 126 | 83% | 0.83 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 1.3 | 176 | -86.5 | -175.4 | -177.7 | 162 | 2.5 | 113.4 | R234 E235 P239 | R234-R237 PolarHBondContact O-N 3.34Å; R234-R237 VanDerWaalsContact O-N 3.09Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.28Å; R237-P239 WeakPolarHBondContact O-CD 3.29Å |
| 238 | A | 34 | Very low | 45.6 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -59.1 | 120.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | R234 E235 T240 | R234-A238 PolarHBondContact O-N 3.29Å; E235-A238 PolarHBondContact O-N 2.98Å; A238-T240 PolarHBondContact O-N 3.33Å |
| 239 | P | 39.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | trans | -59.8 | 112.5 | 172.5 | 23.4 | -29.5 | 0 | 0 | 0 | 106.4 | R237 T241 | R237-P239 WeakPolarHBondContact O-CD 3.29Å; P239-T241 PolarHBondContact O-N 2.96Å; P239-T241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | T | 37.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | -52.3 | 124.7 | 165.5 | 50.9 | 0 | 0 | 0 | 0 | 105.1 | A238 T242 | A238-T240 PolarHBondContact O-N 3.33Å; T240-T242 PolarHBondContact O-N 3.31Å | ||
| 241 | T | 37.3 | Very low | 40.3 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | -60.2 | 93.2 | 175.6 | 51.2 | 0 | 0 | 0 | 0 | 106.8 | P239 K243 | P239-T241 PolarHBondContact O-N 2.96Å; P239-T241 VanDerWaalsContact O-N 3.13Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.12Å | ||
| 242 | T | 35.2 | Very low | 38.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -59.7 | 106.4 | 167.3 | -54.9 | 0 | 0 | 0 | 0 | 104.8 | T240 M244 | T240-T242 PolarHBondContact O-N 3.31Å; T242-M244 PolarHBondContact O-N 3.46Å | ||
| 243 | K | 37.5 | Very low | 36.9 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -46.4 | 102.6 | 172 | -169.8 | 173.9 | -175.5 | 175.2 | 0 | 107.2 | T241 K245 | T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.12Å; K243-K245 PolarHBondContact O-N 3.43Å | ||
| 244 | M | 31.3 | Very low | 35.8 | Very low | 184 Ų | 184 | 140 Ų | 140 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 107 | 172.5 | -68.5 | -168.5 | 92.2 | 0 | 0 | 106.4 | T242 | T242-M244 PolarHBondContact O-N 3.46Š| ||
| 245 | K | 35.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 122.8 | 170.1 | -168.9 | 152.7 | 171.9 | 175.2 | 0 | 106.1 | K243 Q247 | K243-K245 PolarHBondContact O-N 3.43Å; K245-Q247 PolarHBondContact O-N 3.22Å; K245-Q247 VanDerWaalsContact O-N 3.13Å | ||
| 246 | P | 33.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -68.5 | 115.1 | 173 | 26.7 | -28.8 | 0 | 0 | 0 | 107.5 | ||||
| 247 | Q | 32.5 | Very low | 33.5 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 124.3 | 162.7 | -81.7 | -170.1 | -10.8 | 0 | 0 | 107.7 | K245 | K245-Q247 PolarHBondContact O-N 3.22Å; K245-Q247 VanDerWaalsContact O-N 3.13Å | ||
| 248 | G | 30.7 | Very low | 33 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 176.6 | 83.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 249 | K | 36.7 | Very low | 32.9 | Very low | 213 Ų | 213 | 149.8 Ų | 149.8 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -80.2 | 148.6 | 167.7 | -65.8 | -179.9 | 174.8 | -173.7 | 0 | 110 | ||||
| 250 | A | 28.6 | Very low | 33.1 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 161.9 | 141.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 251 | S | 25.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | cis | -176.9 | 174.7 | -8.7 | -162.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 252 | A | 28.1 | Very low | 32.6 | Very low | 76 Ų | 76 | 153.7 Ų | 153.7 | 63% | 0.628 | 82% | 0.818 | S | S | * | * | trans | 90.5 | 99.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 253 | E | 28.8 | Very low | 32.3 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | 77.3 | 103.7 | 81.1 | -77.5 | 175.3 | 144.4 | 0 | 0 | 110.9 | |||||
| 254 | D | 29 | Very low | 31.9 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | -178 | 160.1 | 111.6 | -94.1 | -32.6 | 0 | 0 | 0 | 111.8 | |||||
| 255 | Q | 33.2 | Very low | 32 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -43.3 | 151.8 | -172.9 | -66.4 | 148.5 | -40.5 | 0 | 0 | 114.7 | ||||
| 256 | E | 29.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | -173.9 | 148.3 | 71.7 | -168.7 | 156.7 | 119.4 | 0 | 0 | 111.1 | |||||
| 257 | Q | 37.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 138 | 176 | -68.9 | 151.1 | -18.7 | 0 | 0 | 110.6 | ||||
| 258 | Q | 30.9 | Very low | 31.7 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | -176.6 | 154.1 | 127.9 | -99.5 | 159.8 | 20.9 | 0 | 0 | 113 | |||||
| 259 | D | 32.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 174.1 | -161 | -87.7 | -47.8 | 0 | 0 | 0 | 118.3 | ||||
| 260 | P | 44.9 | Very low | 31.7 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -89.7 | 149.9 | -169 | 35.8 | -31.1 | 0 | 0 | 0 | 112.6 | ||||
| 261 | M | 29.4 | Very low | 32 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -143.8 | 113.3 | 162.1 | -98.2 | -83.9 | -84.7 | 0 | 0 | 109.9 | ||||
| 262 | E | 33.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 153.9 Ų | 153.9 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -59.9 | 137.5 | 157.2 | -71.4 | -173.5 | 145 | 0 | 0 | 109.6 | ||||
| 263 | F | 28.6 | Very low | 32.9 | Very low | 185 Ų | 185 | 159.3 Ų | 159.3 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 125.8 | 147.1 | -140.4 | -97.5 | 0 | 0 | 0 | 109.2 | ||||
| 264 | L | 29.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 156 Ų | 156 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 171.8 | 173.1 | -73.7 | 165.4 | 0 | 0 | 0 | 111.2 | ||||
| 265 | H | 33.9 | Very low | 33.9 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | 112.3 | 106.7 | 167.4 | -63.2 | -69.1 | 0 | 0 | 0 | 112.5 | ||||
| 266 | S | 28.3 | Very low | 34 | Very low | 88 Ų | 88 | 154 Ų | 154 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | 109.3 | 113.5 | 58 | -79.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 267 | D | 30.4 | Very low | 34.1 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 43.7 | 119.5 | 138.3 | -41.6 | -49 | 0 | 0 | 0 | 119.6 | ||||
| 268 | E | 35.9 | Very low | 34.2 | Very low | 181 Ų | 181 | 154.4 Ų | 154.4 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | 168.1 | 144.5 | 95 | -83.8 | -168.9 | 130.9 | 0 | 0 | 112.2 | |||||
| 269 | E | 35.9 | Very low | 34.5 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 0.3 | 133.3 | 167 | -63.1 | -177.9 | 139.1 | 0 | 0 | 121.3 | ||||
| 270 | N | 33.1 | Very low | 34.9 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | -165.7 | 134.8 | 108.6 | -95 | -59.2 | 0 | 0 | 0 | 110.7 | |||||
| 271 | G | 34 | Very low | 34.9 | Very low | 71 Ų | 71 | 156.4 Ų | 156.4 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -80.3 | 152.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 272 | E | 34.4 | Very low | 35.7 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -170.9 | 108.2 | 149.4 | -103.9 | 167.9 | -179.2 | 0 | 0 | 107.6 | ||||
| 273 | E | 37.4 | Very low | 36.4 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 140.6 | 152.5 | -90.7 | -168.6 | 149.1 | 0 | 0 | 107.1 | ||||
| 274 | P | 43.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -150.5 | 159.3 | 83.5 | 34.4 | -13.4 | 0 | 0 | 0 | 117.4 | |||||
| 275 | E | 34.8 | Very low | 38 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | 81 | 111.3 | 141.6 | -76.7 | 179.3 | -171.3 | 0 | 0 | 120.8 | M277 | E275-M277 PolarHBondContact O-N 2.81Š| ||
| 276 | A | 34.9 | Very low | 38.8 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -48.6 | 120.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 277 | M | 31.7 | Very low | 40.1 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | -101.2 | 84.2 | 157 | -49.9 | -167.1 | -65 | 0 | 0 | 107.1 | E275 E279 | E275-M277 PolarHBondContact O-N 2.81Å; M277-E279 PolarHBondContact O-N 3.14Å | ||
| 278 | E | 39.8 | Very low | 41.3 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | trans | -61.6 | 123.8 | 167.5 | -72.2 | -156.8 | 153.4 | 0 | 0 | 109 | E280 | E278-E280 PolarHBondContact O-N 3.02Š| ||
| 279 | E | 38.4 | Very low | 42.6 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -52.8 | 110.7 | 166.1 | -81 | -172.2 | 111.5 | 0 | 0 | 109.5 | M277 K281 | M277-E279 PolarHBondContact O-N 3.14Å; E279-K281 PolarHBondContact O-N 3.21Å; E279-K281 IonicContact OE1-NZ 2.7Å; E279-K281 PolarHBondContact OE1-NZ 3.25Å; E279-K281 IonicContact OE2-NZ 3.98Å | ||
| 280 | E | 40.3 | Very low | 44 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -74.8 | 66.9 | 172.4 | -144.4 | -165.3 | 175.2 | 0 | 0 | 110.7 | E278 | E278-E280 PolarHBondContact O-N 3.02Š| ||
| 281 | K | 44.8 | Very low | 46 | Very low | 168 Ų | 168 | 131 Ų | 131 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | -96.3 | 92.4 | 165.3 | -79.6 | 175.4 | -179.4 | 148.6 | 0 | 109.4 | E279 | E279-K281 PolarHBondContact O-N 3.21Å; E279-K281 IonicContact OE1-NZ 2.7Å; E279-K281 PolarHBondContact OE1-NZ 3.25Å; E279-K281 IonicContact OE2-NZ 3.98Å | ||
| 282 | G | 47 | Very low | 47.8 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | 126.9 | 84.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 283 | S | 47.7 | Very low | 49.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -93.4 | -12.8 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 284 | Q | 46.8 | Very low | 51.7 | Low | 185 Ų | 185 | 124.9 Ų | 124.9 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -91.7 | -25.1 | -178.5 | -70.2 | -171 | -1.2 | 0 | 0 | 115 | ||
| 285 | G | 45.2 | Very low | 53.4 | Low | 45 Ų | 45 | 125.6 Ų | 125.6 | 46% | 0.464 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -79.2 | -34.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A288 K289 | G285-A288 PolarHBondContact O-N 3.24Å; G285-K289 WeakPolarHBondContact O-CG 3.33Å; G285-K289 PolarHBondContact O-N 3Å |
| 286 | G | 50 | Low | 55.6 | Low | 29 Ų | 29 | 124.8 Ų | 124.8 | 30% | 0.299 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.5 | -35.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R290 | G286-R290 WeakPolarHBondContact O-CB 3.09Å; G286-R290 WeakPolarHBondContact O-CG 3.43Å; G286-R290 PolarHBondContact O-N 3.27Å |
| 287 | A | 55.6 | Low | 57.9 | Low | 44 Ų | 44 | 125.9 Ų | 125.9 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.3 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R291 | A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.2Å; A287-R291 VanDerWaalsContact O-N 3.13Å |
| 288 | A | 55.8 | Low | 60.5 | Low | 54 Ų | 54 | 125.5 Ų | 125.5 | 45% | 0.446 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.2 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G285 R291 L292 | G285-A288 PolarHBondContact O-N 3.24Å; A288-R291 PolarHBondContact O-N 2.95Å; A288-L292 PolarHBondContact O-N 2.87Å; A288-L292 VanDerWaalsContact O-N 3.07Å |
| 289 | K | 62.6 | Low | 62.6 | Low | 158 Ų | 158 | 122.3 Ų | 122.3 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | 175.7 | -73.3 | -178.8 | 178.7 | -177.4 | 0 | 112.3 | G285 R291 L292 Q293 | G285-K289 WeakPolarHBondContact O-CG 3.33Å; G285-K289 PolarHBondContact O-N 3Å; K289-R291 PolarHBondContact O-N 3.21Å; K289-L292 PolarHBondContact O-N 2.89Å; K289-Q293 PolarHBondContact O-N 3.13Å |
| 290 | R | 65.4 | Low | 64.8 | Low | 187 Ų | 187 | 120.8 Ų | 120.8 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 175.5 | -76.6 | -173.2 | -85.1 | -140.2 | 2.1 | 112.5 | G286 L292 Q293 E294 | G286-R290 WeakPolarHBondContact O-CB 3.09Å; G286-R290 WeakPolarHBondContact O-CG 3.43Å; G286-R290 PolarHBondContact O-N 3.27Å; R290-L292 PolarHBondContact O-N 2.96Å; R290-Q293 WeakPolarHBondContact O-CB 3.48Å; R290-Q293 PolarHBondContact O-N 3.1Å; R290-E294 WeakPolarHBondContact O-CB 3.48Å; R290-E294 PolarHBondContact O-N 3.37Å |
| 291 | R | 74.7 | Confident | 66.9 | Low | 182 Ų | 182 | 113.7 Ų | 113.7 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.3 | -36.4 | 175.4 | -74.4 | 175.7 | 178.5 | 178.6 | 1.4 | 113.2 | A287 A288 K289 Q295 | A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.2Å; A287-R291 VanDerWaalsContact O-N 3.13Å; A288-R291 PolarHBondContact O-N 2.95Å; K289-R291 PolarHBondContact O-N 3.21Å; R291-Q295 WeakPolarHBondContact O-CB 3.5Å; R291-Q295 WeakPolarHBondContact O-CG 3.27Å; R291-Q295 PolarHBondContact O-N 3.32Å |
| 292 | L | 72.7 | Confident | 68.6 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70 | -39.5 | 175.4 | -80.1 | 165.7 | 0 | 0 | 0 | 111.9 | A288 K289 R290 Q295 R296 | A288-L292 PolarHBondContact O-N 2.87Å; A288-L292 VanDerWaalsContact O-N 3.07Å; K289-L292 PolarHBondContact O-N 2.89Å; R290-L292 PolarHBondContact O-N 2.96Å; L292-Q295 PolarHBondContact O-N 3.46Å; L292-R296 WeakPolarHBondContact O-CB 3.46Å; L292-R296 PolarHBondContact O-N 2.83Å |
| 293 | Q | 73.8 | Confident | 70.2 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.2 | -48.5 | 173.9 | -168.8 | 99.2 | 6.3 | 0 | 0 | 110.9 | K289 R290 Q295 R296 E297 | K289-Q293 PolarHBondContact O-N 3.13Å; R290-Q293 WeakPolarHBondContact O-CB 3.48Å; R290-Q293 PolarHBondContact O-N 3.1Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q293-Q295 PolarHBondContact O-N 2.63Å; Q293-R296 WeakPolarHBondContact O-CB 3.36Å; Q293-R296 PolarHBondContact O-N 2.87Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; Q293-E297 WeakPolarHBondContact O-CG 3.29Å; Q293-E297 PolarHBondContact O-N 3.26Å |
| 294 | E | 79.6 | Confident | 71.6 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 179.4 | -166 | -171.8 | 155.7 | 0 | 0 | 112.3 | R290 R298 | R290-E294 WeakPolarHBondContact O-CB 3.48Å; R290-E294 PolarHBondContact O-N 3.37Å; E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 VanDerWaalsContact O-CG 3.31Å; E294-R298 WeakPolarHBondContact O-CG 3.39Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 IonicContact OE1-NH1 3.5Å; E294-R298 PolarHBondContact OE1-NH1 2.8Å |
| 295 | Q | 78.9 | Confident | 73.1 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.4 | -37.6 | 172.6 | -78.5 | -171.7 | -11.3 | 0 | 0 | 112.4 | R291 L292 Q293 L299 | R291-Q295 WeakPolarHBondContact O-CB 3.5Å; R291-Q295 WeakPolarHBondContact O-CG 3.27Å; R291-Q295 PolarHBondContact O-N 3.32Å; L292-Q295 PolarHBondContact O-N 3.46Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q293-Q295 PolarHBondContact O-N 2.63Å; Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 2.8Å |
| 296 | R | 82.3 | Confident | 74.6 | Confident | 164 Ų | 164 | 106.7 Ų | 106.7 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 176.7 | -176.5 | 179.2 | 178.3 | -169 | -0.3 | 111.6 | L292 Q293 L299 H300 | L292-R296 WeakPolarHBondContact O-CB 3.46Å; L292-R296 PolarHBondContact O-N 2.83Å; Q293-R296 WeakPolarHBondContact O-CB 3.36Å; Q293-R296 PolarHBondContact O-N 2.87Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; R296-L299 PolarHBondContact O-N 3.41Å; R296-H300 PolarHBondContact O-CD2 3.47Å; R296-H300 PolarHBondContact O-N 3.14Å |
| 297 | E | 83.9 | Confident | 75.6 | Confident | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 177.5 | -72.2 | 168.7 | -170 | 0 | 0 | 111.7 | Q293 L299 H300 G301 | Q293-E297 WeakPolarHBondContact O-CG 3.29Å; Q293-E297 PolarHBondContact O-N 3.26Å; E297-L299 PolarHBondContact O-N 3.32Å; E297-H300 PolarHBondContact O-N 3.44Å; E297-G301 PolarHBondContact O-N 3.46Å |
| 298 | R | 84.4 | Confident | 76.5 | Confident | 175 Ų | 175 | 114.3 Ų | 114.3 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -40.1 | 173.1 | -77 | 174 | 134.3 | 156.6 | -1.6 | 113.2 | E294 A302 | E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 VanDerWaalsContact O-CG 3.31Å; E294-R298 WeakPolarHBondContact O-CG 3.39Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 IonicContact OE1-NH1 3.5Å; E294-R298 PolarHBondContact OE1-NH1 2.8Å; R298-A302 WeakPolarHBondContact O-CB 3.37Å; R298-A302 PolarHBondContact O-N 3.46Å |
| 299 | L | 84.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.7 | -40.5 | 176.1 | -74.2 | 169.6 | 0 | 0 | 0 | 111.6 | Q295 R296 E297 A302 L303 | Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 2.8Å; R296-L299 PolarHBondContact O-N 3.41Å; E297-L299 PolarHBondContact O-N 3.32Å; L299-A302 PolarHBondContact O-N 3.07Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.23Å |
| 300 | H | 84.8 | Confident | 77.7 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 173.6 | -95.9 | -87.7 | 0 | 0 | 0 | 112.1 | R296 E297 L303 A304 | R296-H300 PolarHBondContact O-CD2 3.47Å; R296-H300 PolarHBondContact O-N 3.14Å; E297-H300 PolarHBondContact O-N 3.44Å; H300-L303 PolarHBondContact O-N 2.94Å; H300-A304 PolarHBondContact O-N 2.73Å |
| 301 | G | 85.3 | Confident | 77.7 | Confident | 36 Ų | 36 | 110 Ų | 110 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E297 L303 A304 L305 | E297-G301 PolarHBondContact O-N 3.46Å; G301-L303 PolarHBondContact O-N 3.15Å; G301-A304 PolarHBondContact O-N 2.86Å; G301-L305 WeakPolarHBondContact O-CG 3.25Å; G301-L305 PolarHBondContact O-N 2.96Å; G301-L305 VanDerWaalsContact O-N 3.08Å |
| 302 | A | 80.3 | Confident | 77.1 | Confident | 45 Ų | 45 | 108.1 Ų | 108.1 | 37% | 0.372 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R298 L299 L305 I306 | R298-A302 WeakPolarHBondContact O-CB 3.37Å; R298-A302 PolarHBondContact O-N 3.46Å; L299-A302 PolarHBondContact O-N 3.07Å; A302-L305 PolarHBondContact O-N 2.83Å; A302-I306 WeakPolarHBondContact O-CD1 3.3Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.17Å; A302-I306 VanDerWaalsContact O-N 3.07Å |
| 303 | L | 80.2 | Confident | 75.8 | Confident | 105 Ų | 105 | 107 Ų | 107 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.1 | -41.2 | 175.9 | -71.6 | 171.5 | 0 | 0 | 0 | 112 | L299 H300 G301 L305 I306 E307 | L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.23Å; H300-L303 PolarHBondContact O-N 2.94Å; G301-L303 PolarHBondContact O-N 3.15Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.41Å; L303-I306 PolarHBondContact O-N 3.29Å; L303-E307 WeakPolarHBondContact O-CB 3.41Å; L303-E307 PolarHBondContact O-N 3.32Å |
| 304 | A | 77.4 | Confident | 74.9 | Confident | 49 Ų | 49 | 110.7 Ų | 110.7 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H300 G301 E307 L308 | H300-A304 PolarHBondContact O-N 2.73Å; G301-A304 PolarHBondContact O-N 2.86Å; A304-E307 PolarHBondContact O-N 3.41Å; A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.24Å |
| 305 | L | 77.9 | Confident | 74.7 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.5 | -36.8 | 174.5 | -69.8 | 173.2 | 0 | 0 | 0 | 112.6 | G301 A302 L303 E307 A309 | G301-L305 WeakPolarHBondContact O-CG 3.25Å; G301-L305 PolarHBondContact O-N 2.96Å; G301-L305 VanDerWaalsContact O-N 3.08Å; A302-L305 PolarHBondContact O-N 2.83Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.41Å; L305-E307 VanDerWaalsContact C-N 3.34Å; L305-A309 WeakPolarHBondContact O-CB 3.4Å; L305-A309 PolarHBondContact O-N 3.25Å |
| 306 | I | 76.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 110.8 Ų | 110.8 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.2 | -40.2 | 174.1 | -68.6 | 164.1 | 0 | 0 | 0 | 110.4 | A302 L303 A309 N310 | A302-I306 WeakPolarHBondContact O-CD1 3.3Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.17Å; A302-I306 VanDerWaalsContact O-N 3.07Å; L303-I306 PolarHBondContact O-N 3.29Å; I306-A309 PolarHBondContact O-N 2.73Å; I306-N310 VanDerWaalsContact O-CG 3.27Å; I306-N310 PolarHBondContact O-N 2.78Å; I306-N310 PolarHBondContact O-ND2 3.08Å |
| 307 | E | 71.8 | Confident | 74 | Confident | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | 178.6 | -163.3 | 161.2 | -163.9 | 0 | 0 | 112 | L303 A304 L305 N310 N311 | L303-E307 WeakPolarHBondContact O-CB 3.41Å; L303-E307 PolarHBondContact O-N 3.32Å; A304-E307 PolarHBondContact O-N 3.41Å; L305-E307 VanDerWaalsContact C-N 3.34Å; E307-N310 PolarHBondContact O-N 3.22Å; E307-N311 PolarHBondContact O-N 2.88Å; E307-N311 VanDerWaalsContact O-N 3.12Å; E307-N311 PolarHBondContact O-ND2 3.08Å |
| 308 | L | 73.8 | Confident | 73.4 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | 170.2 | -76.3 | 165.7 | 0 | 0 | 0 | 112.2 | A304 N310 N311 L312 | A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.24Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.4Å; L308-N311 PolarHBondContact O-N 3.09Å; L308-L312 WeakPolarHBondContact O-CD1 3.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.5Å |
| 309 | A | 71.6 | Confident | 72.7 | Confident | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L305 I306 L312 | L305-A309 WeakPolarHBondContact O-CB 3.4Å; L305-A309 PolarHBondContact O-N 3.25Å; I306-A309 PolarHBondContact O-N 2.73Å; A309-L312 PolarHBondContact O-N 2.94Å |
| 310 | N | 71.9 | Confident | 72 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.7 | -29.3 | 176.9 | -71.2 | -24.8 | 0 | 0 | 0 | 113 | I306 E307 L308 L312 | I306-N310 VanDerWaalsContact O-CG 3.27Å; I306-N310 PolarHBondContact O-N 2.78Å; I306-N310 PolarHBondContact O-ND2 3.08Å; E307-N310 PolarHBondContact O-N 3.22Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.4Å; N310-L312 VanDerWaalsContact C-N 3.32Å |
| 311 | N | 66.3 | Low | 71 | Confident | 130 Ų | 130 | 101.2 Ų | 101.2 | 70% | 0.695 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -82.2 | -8.1 | 175.7 | -74.5 | -59.5 | 0 | 0 | 0 | 113.7 | E307 L308 | E307-N311 PolarHBondContact O-N 2.88Å; E307-N311 VanDerWaalsContact O-N 3.12Å; E307-N311 PolarHBondContact O-ND2 3.08Å; L308-N311 PolarHBondContact O-N 3.09Å |
| 312 | L | 61.3 | Low | 69.9 | Low | 143 Ų | 143 | 106.2 Ų | 106.2 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 1.9 | 177.5 | -77.4 | 163.7 | 0 | 0 | 0 | 113.5 | L308 A309 N310 P314 | L308-L312 WeakPolarHBondContact O-CD1 3.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.5Å; A309-L312 PolarHBondContact O-N 2.94Å; N310-L312 VanDerWaalsContact C-N 3.32Å; L312-P314 WeakPolarHBondContact O-CD 3.39Å |
| 313 | S | 46.4 | Very low | 69.1 | Low | 92 Ų | 92 | 111.3 Ų | 111.3 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | trans | -92.7 | 114.7 | 170.2 | -166.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 314 | P | 53.9 | Low | 68.1 | Low | 190 Ų | 190 | 111.9 Ų | 111.9 | 100% | 1.234 | 65% | 0.647 | S | S | * | * | trans | -67 | 0 | 168.1 | 29.9 | -33.2 | 0 | 0 | 0 | 111.7 | L312 | L312-P314 WeakPolarHBondContact O-CD 3.39Š|
Retrieved 314 of 314 residues in 165 ms
(Link to these results)